Toxic Release Inventory (TRI) Chemicals

Acifluorfen

CAS62476-59-9

SynonymSodium acifluorfen, SODIUM 5-(2-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYLOXY)-2-NITROBENZOATE, sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, tackle 2as, 5-(2-chloro-4-(trifluoro-methyl)phenoxy)-2-nitro-benzoic acid sodium salt, ACIFLUORFEN SODIUM, Blazer, Acifluorfen Sodium (Patented-No-Supply), 5-(2-Chloro-4-(trifluoro-methyl)phenoxy)-2-nitro-benzoic acid sodium salt, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoic acid sodium salt, Acifluorfen sodium, Acifluorfen, sodium salt, Acifluorfen-sodium, Blazer, Blazer 2S, Carbofluorfen, Caswell No. 755D, EC 263-560-7, EINECS 263-560-7, EPA Pesticide Chemical Code 114402, HSDB 6551, LS 80.1213, MC 10978, RH 6201, RH 6205, Scifluorfen, Sodium 5-((2,-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy)-2-nitrobenzoate, Sodium Acifluorfen, Sodium salt of acifluorfen, UNII-6H07I1G902, Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, sodium salt, Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, sodium salt (1:1), Sodium 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate, Superlist Names 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoic acid, sodium salt, Acifluorfen sodium salt, Acifluorfen, sodium salt, Acifluorfen, Acifluorfen-sodium, Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

Molecular weight383.64

EINECS263-560-7

SMILESc1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)[O-])[N+](=O)[O-].[Na+]

Water solubility2.50E+05 mg/L

Atmospheric OH Rate Constant4.15E-13 cm3/molecule-sec

log P (octanol-water)0.370

Melting Point>100 ° C

Vapor Pressure9.75E-09 mm Hg

Dimethoate

CAS60-51-5

FormulaC5H12NO3PS2

SynonymPhosphorodithioic acid, O,O-dimethyl-S-[2-(methylamino)-2-oxoethyl]ester, EL 12880, DIMETATE(R), DIMETHOATE, CHAMP, CEKUTOATE, DANADIM(R), CYGON, CYGON(R), Dimethoate, O,O-Dimethyldithiphosphorylacetic acid-N-monomethylamide salt, O,O-Dimethyl-S-(2-(methylamino)-2-oxoethyl) phosphorodithioate, O,O-Dimethyl-S-(N-methylcarbamoylmethyl) dithiophosphate, O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate, O,O-Dimethyl S-methylcarbamoylmethyl phosphorodithioate O,O-Dimethyl-S-(N-methylcarbamoylmethyl) phosphorodithioate, O,O-Dimethyl-S-(N-methylcarbamylmethyl) thiothionophosphate, O,O-Dimethyl-S-(N-monomethyl) carbamyl methyldithiophosphate, Phosphorodithioic acid O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester

EINECS200-480-3

InChI1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

Vapor Pressure8.25E-06 mm Hg

Henry's Law Constant1.05E-10 atm-m3/mole

log P (octanol-water)0.78

Melting Point52 ° C

Water solubility2.50E+04 mg/L

Atmospheric OH Rate Constant7.90E-11 cm3/molecule-sec

Storage Temperature0-6°C

Water solubilitySlightly soluble. 2.5 g/100 mL

Flash Point107 °C

Boiling Point107°C (0.05 torr)

Density1.281

Merck13,3246

Molecular weight229.26

Melting Point52-52.5°C

C06817

CAS28981-97-7

FormulaC17H13ClN4

Synonym4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine, D 65MT, U 31889, TUS-1, Xanax, Alplax, Taf

Storage Temperature2-8°C

Flash Point11 °C

SolubilityH2O: insoluble

Molecular weight308.77

EINECS249-349-2

SMILESc12c(C(c3ccccc3)=NCc3n1c(nn3)C)cc(Cl)cc2

InChI1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Vapor Pressure1.65E-08 mm Hg

Water solubility13.1 mg/L

Atmospheric OH Rate Constant7.62E-12 cm3/molecule-sec

Henry's Law Constant9.77E-12 atm-m3/mole

log P (octanol-water)2.12

Melting Point228-228.50C

Alprazolam

CAS28981-97-7

FormulaC17H13ClN4

Synonym4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine, D 65MT, U 31889, TUS-1, Xanax, Alplax, Taf

Molecular weight308.77

EINECS249-349-2

SMILESc12c(C(c3ccccc3)=NCc3n1c(nn3)C)cc(Cl)cc2

InChI1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Vapor Pressure1.65E-08 mm Hg

Water solubility13.1 mg/L

Henry's Law Constant9.77E-12 atm-m3/mole

log P (octanol-water)2.12

Storage Temperature2-8°C

Flash Point11 °C

SolubilityH2O: insoluble

Melting Point228-228.50C

Atmospheric OH Rate Constant7.62E-12 cm3/molecule-sec

10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-

CAS63-05-8

FormulaC19H26O2

SynonymAndrost-4-ene-3,17-dione, 4-Androstene-3,17-dione, 4-Androsten-3,7-dione, SKF 2170, 3,17-Dioxoandrost-4-ene, d4-Androstene-3,17-dione, d4-Androsten-3,17-dione, 4-Androsten-3,17-dione, NSC 9563, d(Sup4)-Androstene-3,17-dione, d-(sup4)-Androsten-3,17-dione

Molecular weight286.41

EINECS200-554-5

InChI1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m1/s1

Merck13,643

Flash Point2?

Melting Point170-171 °C

Storage TemperatureControlled Substance, -20°C Freezer

Flash Point2?

Atmospheric OH Rate Constant1.11E-10 cm3/molecule-sec

Henry's Law Constant3.68E-08 atm-m3/mole

Water solubility57.8 mg/L

log P (octanol-water)2.75

Melting Point158 ° C

Vapor Pressure2.46E-06 mm Hg

Flash Point2?

Manganese

CAS7439-96-5

FormulaMn

SynonymMN000200, MN000150, MN000160, MN000301, MN000300, MN000110, MN000130, MN000170, Manganese, Colloidal manganese

Molecular weight54.94

EINECS231-869-6

InChI1S/Mn

Water solubilitySoluble in diluted acids. Insoluble in water.

Storage Temperature2-8°C

SolubilityH2O: soluble

Merck13,5745

StabilityStable. Incompatible with water, strong oxidizing agents, strong acids, phosphorus.

Melting Point1244 °C

Density7.3 g/mL at 25 °C

Boiling Point1962 °C

ColorGray-brown to brown-black

FormPowder

Ribavirin

CAS36791-04-5

FormulaC8H12N4O5

SynonymREBETOL, RIBAVIRIN, rtca, tribavirin, vilona, VIRAMID, VIRAZID, VIRAZOLE

Molecular weight244.20

Vapor Pressure5.10E-13 mm Hg

Atmospheric OH Rate Constant4.05E-11 cm3/molecule-sec

log P (octanol-water)-1.85E+00

Henry's Law Constant9.96E-22 atm-m3/mole

Water solubility4.74E+04 mg/L

Paraldehyde

CAS123-63-7

FormulaC6H12O3

Synonym2,4,6-Trimethyl-1,3,5-trioxane, 1,3,5-Trioxane, 2,4,6-trimethyl-, s-Trioxane, 2,4,6-trimethyl-, s-Trimethyltrioxymethylene, Acetaldehyde trimer, Elaldehyde, Paraacetaldehyde, Paracetaldehyde, Paral, Pcho, 1,3,5-Trimethyl-2,4,6-trioxane, 2,4,6-Trimethyl-s-

Molecular weight132.16

EINECS204-639-8

SMILESC1(OC(OC(O1)C)C)C

InChI1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3

Boiling Point65-82 °C

Vapor Pressure25.89 psi ( 55 °C)

Water solubility125 g/L (25 ºC)

StabilityStable. Flammable. Incompatible with strong oxidizing agents, mineral acids.

FEMA4010

Density0.994 g/mL at 20 °C

Flash Point30 °F

Formsolution

Storage Temperature2-8°C

Vapor Density1.52

Merck13,7098

Melting Point12 °C

Refractive Index1.39

Boiling Point124.3 ° C

Vapor Pressure11 mm Hg

Atmospheric OH Rate Constant2.18E-11 cm3/molecule-sec

log P (octanol-water)0.67

Water solubility1.12E+05 mg/L

Henry's Law Constant1.71E-05 atm-m3/mole

Melting Point12.6 ° C

Solubility120g/l

Dilthiazem hydrochloride

CAS33286-22-5

FormulaC22H27ClN2O4S; C22H26N2O4S.ClH

Synonym1,5-benzothiazepin-4(5h)-one,2,3-dihydro-3-(acetyloxy)-5-(2-(dimethylamino)eth, 2,3-dihydro-3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-5-benzothiazepin-4(5h)-one, altiazem, anginyl, angizem, britiazim, bruzem, calcicard, (+)-5-(2-(Dimethy

Molecular weight450.98

EINECS251-443-3

SMILESCl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C

Melting Point207.5-212 ° C

log P (octanol-water)2.7

Water solubility12.3 mg/L

Henry's Law Constant8.61E-17 atm-m3/mole

Atmospheric OH Rate Constant1.80E-10 cm3/molecule-sec

Vapor Pressure1.54E-11 mm Hg

Storage Temperature2-8°C

Flash Point2?

Melting Point212-214 °C

Merck13,3226

Refractive Index118 ° (C=1, H2O)

Water solubilitysoluble

ColorWhite to off-white

Flash Point2?

FormPowder

Sudan I

CAS842-07-9

FormulaC16H12N2O

Synonym1-Benzeneazo-2-naphthol, Benzeneazo-ß-naphthol, Brasilazina Oil Orange, Calcogas Orange NC, Ceres Orange R, C.I. 12055, C.I. Solvent Yellow 14, Dispersol Yellow PP, Enial Orange I, Fast Oil Orange I, Fast Orange, Fat Orange 4A, Fat Orange G, Fat Orange I

Molecular weight248.28

EINECS212-668-2

SMILESc12c(\N=N\c3ccccc3)c(ccc1cccc2)O

InChI1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H

Melting Point131-133 °C

StabilityIncompatible with strong oxidizing agents.

Storage TemperatureAmber Vial, Refrigerator, Under Inert Atmosphere

Water solubility0.5 g/L (30 ºC)

Colour Index12055

log P (octanol-water)5.510

Water solubility0.674 mg/L

Vapor Pressure7.34E-08 mm Hg

Atmospheric OH Rate Constant1.83E-11 cm3/molecule-sec

Henry's Law Constant2.62E-11 atm-m3/mole

Melting Point134 ° C

FormPowder

ColorOrange to red or brown

Anthraquinone

CAS84-65-1

FormulaC14H8O2

Synonym9,10-Anthracenedione, 9,10-Anthraquinone, anthracene-9,10-dione, 9,10-anthracenequinone, Anthradione, Hoelite, Morkit, Anthracene, 9,10-dihydro-9,10-dioxo-, 9,10-Dioxoanthracene, 9,10-Anthrachinon, Corbit, Anthracene-9,10-quinone, NSC 7957, Anthraquinone 9

pKa Dissociation Constant7.4

Boiling Point377 ° C

Water solubility1.35 mg/L

log P (octanol-water)3.39

Henry's Law Constant2.35E-08 atm-m3/mole

Solubility0.00007g/l

Storage TemperatureStorage temperature: no restrictions.

ColorYellow-green to khaki to tan

FormPowder

Molecular weight208.21

EINECS201-549-0

InChI1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

Melting Point284-286 °C

Density1.438

BRN Number390030

Vapor Density7.16

Merck14,687

Water solubility<0.1 g/100 mL at 23 ºC

Flash Point365 °F

StabilityStable. Incompatible with strong oxidizing agents

Boiling Point379-381 °C

Vapor Pressure1 mm Hg ( 190 °C)

Vapor Pressure1.16E-07 mm Hg

Atmospheric OH Rate Constant1.50E-12 cm3/molecule-sec

Melting Point286 ° C

Colchicine

CAS64-86-8

FormulaC22H25NO6

SynonymAcetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-, Colchineos, Colchisol, Colcin, Colsaloid, Condylon, NSC 757, 7a-H-Colchicine, Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-, Colchicin

EINECS200-598-5

InChI1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1

Alpha-250 º (c=1, alcohol)

SensitiveLight Sensitive

Melting Point150-160 °C (dec.)

BRN Number2228813

StabilityStable. Light sensitive. Incompatible with strong oxidizing agents.

Merck14,2471

SolubilityH2O: 10 mg/mL

Storage TemperaturePoison room

Water solubility45 g/L (20 ºC)

Colorwhite to yellow with a green cast

Formpowder

pKa Dissociation Constant1.85

log P (octanol-water)1.3

Henry's Law Constant1.79E-17 atm-m3/mole

Water solubility4.50E+04 mg/L

Atmospheric OH Rate Constant3.32E-10 cm3/molecule-sec

Vapor Pressure3.13E-12 mm Hg

Melting Point156 ° C

Molecular weight399.44

Hexamethylphosphoramide

CAS680-31-9

FormulaC6H18N3OP

SynonymHexamethylphosphoramide, Hexamethylphosphoric triamide, Eastman Inhibitor HPT, ENT 50,882, Hexametapol, Hexamethylphosphorotriamide, HMPA, HMPT, HMPTA, HPT, Phosphoric tris(dimethylamide), Phosphoryl hexamethyltriamide, Tris(dimethylamino)phosphine oxide

Molecular weight179.20

EINECS211-653-8

SMILESP(=O)(N(C)C)(N(C)C)N(C)C

InChI1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3

Water solubility1.00E+06 mg/L

Atmospheric OH Rate Constant9.01E-11 cm3/molecule-sec

Melting Point7.2 ° C

Boiling Point232.5 ° C

log P (octanol-water)0.28

Henry's Law Constant2.00E-08 atm-m3/mole

Vapor Pressure0.046 mm Hg

Water solubilityMiscible

Refractive Index1.459

Vapor Pressure0.07 mm Hg ( 25 °C)

Merck4725

Boiling Point230-232 °C740 mm Hg

FreezingPoint7?

Melting Point7 °C

Density1.03 g/mL at 25 °C

StabilityStable. Incompatible with strong acids, strong oxidizing agents.

Vapor Density6.18

Flash Point222 °F

Testosterone

CAS58-22-0

FormulaC19H28O2

SynonymAndrost-4-en-3-on-17B-ol, Androst-4-en-3-one, 17-hydroxy-, (17ß)-, ?4-Androsten-17ß-ol-3-one, Androlin, Andronaq, Andrusol, Cristerona T, Geno-cristaux Gremy, Homosteron, Homosterone, Mertestate, Neotestis, Orquisteron, Perandren, Percutacrine androgeniqu

Molecular weight288.42

EINECS200-370-5

InChI1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14?,15?,16?,17-,18?,19?/m1/s1

Melting Point155 ° C

Vapor Pressure2.23E-08 mm Hg

Henry's Law Constant3.53E-09 atm-m3/mole

Water solubility23.4 mg/L

Atmospheric OH Rate Constant1.07E-10 cm3/molecule-sec

log P (octanol-water)3.32

Alpha101 º (c=1, dioxane 25 ºC)

Flash Point5 °C

Storage Temperature2-8°C

Solubility45% (w/v) aq 2-hydroxypropyl-ß-cyclodextrin: soluble18.2 mg/ml

Melting Point152-156 °C

Merck13,9255

StabilityStable. Combustible. Incompatible with strong oxidizing agents.

Solubility45% (w/v) aq 2-hydroxypropyl-ß-cyclodextrin: soluble18.2 mg/ml

17-Methyltestosterone

CAS58-18-4

FormulaC20H30O2

Synonym17a-Methyltestosterone, Androst-4-en-3-on-17B-ol, 17A-methyl, Testosterone, 17-methyl-, 17-Methyltestosterone, Androst-4-en-3-one, 17-hydroxy-17-methyl-, (17ß)-, Androst-4-en-3-one, 17ß-hydroxy-17-methyl-, Andrometh, Androsan, Androsten, Anertan, Anertan,

Molecular weight302.45

EINECS200-366-3

InChI1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m1/s1

Melting Point163.5 ° C

log P (octanol-water)3.36

Henry's Law Constant4.68E-09 atm-m3/mole

Vapor Pressure1.85E-08 mm Hg

Water solubility33.9 mg/L

Atmospheric OH Rate Constant1.03E-10 cm3/molecule-sec

Flash Point5 °C

Melting Point162-168 °C

Colorwhite

SolubilityH2O: =0.5 mg/mL

Merck13,6148

Alpha79 º (c=1, alcohol)

Formsolid (photosensitive)

SolubilityH2O: =0.5 mg/mL

Storage Temperature2-8°C

C.I. 45170

CAS81-88-9

FormulaC28H31ClN2O3

SynonymEthanaminium, N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride, Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride, Aizen Rhodamine BH, Aizen Rhodamine BHC, Akiriku Rhodamine B, ADC Rhod

Atmospheric OH Rate Constant2.37E-10 cm3/molecule-sec

Vapor Pressure1.89E-19 mm Hg

Melting Point165 ° C

log P (octanol-water)1.95

SolubilityH2O: soluble1mg/mL

Melting Point210-211 (dec.)

StabilityStable. Incompatible with strong oxidizing agents.

Storage TemperatureStore at room temperature.

ColorGreen

FormSolid

Colour Index45170

Water solubilitySOLUBLE

Flash Point12 °C

BRN Number4119648

Density0.79 g/mL at 20 °C

Merck14,8183

EINECS201-383-9

InChI1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H

Molecular weight479.01

Water solubility1.20E+04 mg/L

Basic Violet 10

CAS81-88-9

FormulaC28H31ClN2O3

SynonymEthanaminium, N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride, Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride, Aizen Rhodamine BH, Aizen Rhodamine BHC, Akiriku Rhodamine B, ADC Rhod

Molecular weight479.01

EINECS201-383-9

InChI1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H

Atmospheric OH Rate Constant2.37E-10 cm3/molecule-sec

Vapor Pressure1.89E-19 mm Hg

Melting Point165 ° C

log P (octanol-water)1.95

Merck14,8183

Melting Point210-211 (dec.)

StabilityStable. Incompatible with strong oxidizing agents.

Storage TemperatureStore at room temperature.

ColorGreen

FormSolid

Colour Index45170

Water solubilitySOLUBLE

Flash Point12 °C

BRN Number4119648

Density0.79 g/mL at 20 °C

Water solubility1.20E+04 mg/L

SolubilityH2O: soluble1mg/mL

Rhodamine B

CAS81-88-9

FormulaC28H31ClN2O3

SynonymEthanaminium, N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride, Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride, Aizen Rhodamine BH, Aizen Rhodamine BHC, Akiriku Rhodamine B, ADC Rhod

Molecular weight479.01

EINECS201-383-9

InChI1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H

Atmospheric OH Rate Constant2.37E-10 cm3/molecule-sec

Vapor Pressure1.89E-19 mm Hg

Melting Point165 ° C

log P (octanol-water)1.95

Water solubility1.20E+04 mg/L

SolubilityH2O: soluble1mg/mL

Merck14,8183

Melting Point210-211 (dec.)

StabilityStable. Incompatible with strong oxidizing agents.

Storage TemperatureStore at room temperature.

ColorGreen

FormSolid

Colour Index45170

Water solubilitySOLUBLE

Flash Point12 °C

Density0.79 g/mL at 20 °C

BRN Number4119648

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-5-chloro-6-(hy

CAS207-08-9

FormulaC20H12

Synonym11,12-Benzofluoranthene, Dibenzo[b,jk]fluorene, 2,3,1',8'-Binaphthylene, 8,9-Benzofluoranthene, 11,12-BENZOFLUORANTHENE, BENZO(K)FLUORANTHENE, 11,12-benzo(k)fluoranthene, 2,3,1',8'-Binaphthylene, 2,3,1’,8’-binaphthylene, 8,9-benzfluoranthene, 8,9-Benzofluoranthene, dibenzo(b,jk)fluorene, BENZO(K)FLUORANTHENE, 11,12-Benzo(k)fluoranthene, 11,12-Benzofluoranthene, 2,3,1',8'-Binaphthylene, 4-05-00-02686 (Beilstein Handbook Reference), 8,9-Benzfluoranthene, 8,9-Benzofluoranthene, Benzo(k)fluoranthene, BRN 1873745, CCRIS 74, Dibenzo(b,jk)fluorene, EINECS 205-916-6, HSDB 6012, UNII-U0P6LY48VF, Systematic Name Benzo(k)fluoranthene, Superlist Names Benzo(k)fluoranthene, Benzo(k)fluoranthene [Polycyclic aromatic compounds], Benzo(k)fluoranthene [Polycyclic aromatic hydrocarbons]

Molecular weight252.31

EINECS205-916-6

SMILESc12c3c4cc5ccccc5cc4c1cccc2ccc3

InChI1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

Atmospheric OH Rate Constant5.36E-11 cm3/molecule-sec

Melting Point217 ° C

Boiling Point480 ° C

log P (octanol-water)6.11

Henry's Law Constant5.84E-07 atm-m3/mole

Water solubility8.00E-04 mg/L

StabilityStable. Combustible. Incompatible with strong oxidizin

Boiling Point480 °C

Melting Point215-217 °C

Solubility95% ethanol:<1mg/mL at 20°C

Density1.286

Flash Point100 °C

Storage TemperatureAPPROX 4°C

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chl

CAS207-08-9

FormulaC20H12

Synonym11,12-Benzofluoranthene, Dibenzo[b,jk]fluorene, 2,3,1',8'-Binaphthylene, 8,9-Benzofluoranthene, 11,12-BENZOFLUORANTHENE, BENZO(K)FLUORANTHENE, 11,12-benzo(k)fluoranthene, 2,3,1',8'-Binaphthylene, 2,3,1’,8’-binaphthylene, 8,9-benzfluoranthene, 8,9-Benzofluoranthene, dibenzo(b,jk)fluorene, BENZO(K)FLUORANTHENE

Molecular weight252.31

EINECS205-916-6

InChI1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

Atmospheric OH Rate Constant5.36E-11 cm3/molecule-sec

Melting Point217 ° C

Boiling Point480 ° C

log P (octanol-water)6.11

Henry's Law Constant5.84E-07 atm-m3/mole

Water solubility8.00E-04 mg/L

StabilityStable. Combustible. Incompatible with strong oxidizin

Storage TemperatureAPPROX 4°C

Boiling Point480 °C

Melting Point215-217 °C

Solubility95% ethanol:<1mg/mL at 20°C

Density1.286

Flash Point100 °C

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hyd

CAS207-08-9

FormulaC20H12

Synonym11,12-Benzofluoranthene, Dibenzo[b,jk]fluorene, 2,3,1',8'-Binaphthylene, 8,9-Benzofluoranthene, 11,12-BENZOFLUORANTHENE, BENZO(K)FLUORANTHENE, 11,12-benzo(k)fluoranthene, 2,3,1',8'-Binaphthylene, 2,3,1’,8’-binaphthylene, 8,9-benzfluoranthene, 8,9-Benzofluoranthene, dibenzo(b,jk)fluorene, BENZO(K)FLUORANTHENE

Molecular weight252.31

EINECS205-916-6

InChI1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

Atmospheric OH Rate Constant5.36E-11 cm3/molecule-sec

Melting Point217 ° C

Boiling Point480 ° C

log P (octanol-water)6.11

Henry's Law Constant5.84E-07 atm-m3/mole

Water solubility8.00E-04 mg/L

StabilityStable. Combustible. Incompatible with strong oxidizin

Storage TemperatureAPPROX 4°C

Boiling Point480 °C

Melting Point215-217 °C

Solubility95% ethanol:<1mg/mL at 20°C

Density1.286

Flash Point100 °C

Benzo[k]fluoranthene

CAS207-08-9

FormulaC20H12

Synonym11,12-Benzofluoranthene, Dibenzo[b,jk]fluorene, 2,3,1',8'-Binaphthylene, 8,9-Benzofluoranthene, 11,12-BENZOFLUORANTHENE, BENZO(K)FLUORANTHENE, 11,12-benzo(k)fluoranthene, 2,3,1',8'-Binaphthylene, 2,3,1’,8’-binaphthylene, 8,9-benzfluoranthene, 8,9-Benzofluoranthene, dibenzo(b,jk)fluorene, BENZO(K)FLUORANTHENE

Molecular weight252.31

EINECS205-916-6

InChI1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

Atmospheric OH Rate Constant5.36E-11 cm3/molecule-sec

Boiling Point480 ° C

log P (octanol-water)6.11

Henry's Law Constant5.84E-07 atm-m3/mole

Melting Point217 ° C

StabilityStable. Combustible. Incompatible with strong oxidizin

Storage TemperatureAPPROX 4°C

Boiling Point480 °C

Melting Point215-217 °C

Solubility95% ethanol:<1mg/mL at 20°C

Density1.286

Flash Point100 °C

Water solubility8.00E-04 mg/L

Benzo[ghi]perylene

CAS191-24-2

FormulaC22H12

Synonym1,12-Benzoperylene, 1,12-Benzperylene, Benzo-1,12-perylene, 6,7-Ethenoperylene, Benzo[ghi]perylene,1,12-Benzoperylene, 1.12-Benzoperylene 10mg [191-24-2], Benzo[ghi]Pyrene in methanol, Benzo[ghi]perylene, 98+% 100MG, NSC 89275, Benzo[ghi]perylene 98%, Benzo(g.h.i)p, 1,12-BENZOPERYLENE

Molecular weight276.33

EINECS205-883-8

InChI1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H

Atmospheric OH Rate Constant8.69E-11 cm3/molecule-sec

Henry's Law Constant3.31E-07 atm-m3/mole

Vapor Pressure1.00E-10 mm Hg

Boiling Point>500 ° C

log P (octanol-water)6.63

Melting Point278 ° C

Water solubility2.60E-04 mg/L

Benzo[ghi]perylene

CAS191-24-2

FormulaC22H12

Synonym1,12-Benzoperylene, 1,12-Benzperylene, Benzo-1,12-perylene, 6,7-Ethenoperylene, Benzo[ghi]perylene,1,12-Benzoperylene, 1.12-Benzoperylene 10mg [191-24-2], Benzo[ghi]Pyrene in methanol, Benzo[ghi]perylene, 98+% 100MG, NSC 89275, Benzo[ghi]perylene 98%, Benzo(g.h.i)p, 1,12-BENZOPERYLENE

Molecular weight276.33

EINECS205-883-8

InChI1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H

SMILESc12c3c4c5cccc4ccc3ccc2ccc2c1c5ccc2

Henry's Law Constant3.31E-07 atm-m3/mole

Vapor Pressure1.00E-10 mm Hg

Boiling Point>500 ° C

log P (octanol-water)6.63

Melting Point278 ° C

Water solubility2.60E-04 mg/L

Atmospheric OH Rate Constant8.69E-11 cm3/molecule-sec

4,6-Dinitro-o-cresol

CAS534-52-1

FormulaC7H6N2O5

Synonym2-Methyl-4,6-dinitrophenol, 4,6-Dinitro-o-cresol, 4,6-Dinitro-2-methylphenol, Dnoc, o-Cresol, 4,6-dinitro-, Antinonin, Antinonnin, Arborol, Degrassan, Dekrysil, Detal, Dillex, Dinitro, Dinitro-o-cresol, Dinitrocresol, Dinitrodendtroxal, Dinitrol, Dinoc, Dinurania, Ditrosol, Dn, Effusan, Effusan 3436, Elgetol, Elgetol 30, Elipol, Extrar, Hedolit, Hedolite, K III, K IV, Kresamone, Krezotol 50, Lipan, Nitrofan, Prokarbol, Rafex, Rafex 35, Raphatox, Sandolin, Sandolin A, Selinon, Sinox, Winterwash, 2,4-Dinitro-6-methylphenol, 3,5-Dinitro-2-hydroxytoluene, 6-Methyl-2,4-dinitrophenol, Capsine, Dn-dry mix no. 2, Dnok, Dwunitro-o-krezol, DNC, Krenite, Le dinitrocresol-4,6, Nitrador, Trifocide, Zahlreiche bezeichnungen, 2,4-Dinitro-o-cresol, 4,6-Dinitro-o-cresolo, 4,6-Dinitro-o-kresol, 4,6-Dinitrokresol, Chemsect DNOC, C.I. 10310, Detol, DINOK, ENT 154, Kresonite-E, Oranz viktoria, RCRA Waste number P047, Trifrina, 4,6-Dinitrocresol, 4,6-DNOC, Dinitrosol, Elgetox, Flavin-Sandoz, DNOC Styrene polymerisation retarder, 2-METHYL-4,6-DINITRO PHENOL,1X1ML,MEOH,5 00UG/ML, DNOC PESTANAL, 250 MG, 2-METHYL-4,6-DINITROPHENOL, 1000MG, NEAT, 4,6-DINITRO-O-CRESOL, 1GM,NEAT, 2-METHYL-4,6-DINITROPHENOL, 1X1ML MEOH 5 000UG/ML, 4,6-dinitro-2-cresol, Phenol, 2-methyl-4,6-dinitro-, 2-Methyl-4,6-dinitrophenol, 4,6-Dinitro-o-cresol, Dinitrocresol, 2,4-Dinitro-o-cresol, 3,5-Dinitro-2-hydroxytoluene, Dinitromethyl cyclohexyltrienol, 2,4-Dinitro-6-methylphenol 4,6-Dinitro-2-methylphenol, DN, DNC, DNOC, 2-Methyl-4,6-dinitrophenol

Molecular weight198.13

EINECS208-601-1

InChI1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

Henry's Law Constant1.40E-06 atm-m3/mole

Vapor Pressure1.06E-04 mm Hg

Boiling Point378 ° C

Melting Point86.6 ° C

Water solubility198 mg/L

Atmospheric OH Rate Constant3.03E-13 cm3/molecule-sec

pKa Dissociation Constant4.31

log P (octanol-water)2.12

Storage Temperature0-6°C

Flash Point11 °C

Boiling Point196°C 1012mm

Melting Point83-85 °C

Water solubilityslightly soluble

Merck3279

Acifluorfen

Dimethoate

C06817

Alprazolam

10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-

Manganese

Ribavirin

Paraldehyde

Dilthiazem hydrochloride

Sudan I

Anthraquinone

Colchicine

Hexamethylphosphoramide

Testosterone

17-Methyltestosterone

C.I. 45170

Basic Violet 10

Rhodamine B

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-5-chloro-6-(hy

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chl

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hyd

Benzo[k]fluoranthene

Benzo[ghi]perylene

Benzo[ghi]perylene

4,6-Dinitro-o-cresol

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