Toxic Release Inventory (TRI) Chemicals

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Product name
CAS
Formula
CAS74-96-4
FormulaC2H5Br
SynonymEthane, bromo-, Ethyl bromide, Bromic ether, Hydrobromic ether, Monobromoethane, C2H5Br, 1-Bromoethane, Bromure d'ethyle, Etylu bromek, Halon 2001, NCI-C55481, UN 1891, NSC 8824, Ethyl bromide, Bromic ether, Bromoethane, Ethane, bromo-, Hydrobromic ether, Monobromoethane
Molecular weight108.97
InChI1S/C2H5Br/c1-2-3/h2H2,1H3
CAS74-85-1
FormulaC2H4
SynonymEthene, Acetene, Bicarburretted hydrogen, Elayl, Olefiant gas, C2H4, Athylen, Liquid ethyene, UN 1038, UN 1962, Ethylene, Acetene, Bicarburretted hydrogen, Ethene, Ethylene, compressed, Ethylene, refrigerated liq. Liquid ethylene, Olefiant gas
Molecular weight28.05
InChI1S/C2H4/c1-2/h1-2H2
CAS74-83-9
FormulaCH3Br
SynonymMethane, bromo-, Methyl bromide, Curafume, Embafume, Halon 1001, Haltox, Iscobrome, Monobromomethane, Terabol, CH3Br, Bercema, Brom-methan, Brom-O-gas, Brom-O-gaz, Bromometano, Bromure de methyle, Bromuro di metile, Broommethaan, Celfume, Dawson 100, Detia gas ex-M, Dowfume mc-2, Dowfume mc-33, Dowfume mc-2 soil fumigant, Edco, Fumigant-1, Kayafume, MBX, MeBr, Metafume, Methogas, Methylbromid, Metylu bromek, Pestmaster, Profume, R 40B1, Rcra waste number U029, Terr-O-gas 67, Terr-O-gas 100, UN 1062, Zytox, Brom-O-sol, Methybrom, Methyl bromide, Bromomethane, MB, MBX, MEBR, Monobromomethane
Molecular weight94.94
InChI1S/CH3Br/c1-2/h1H3
log P (octanol-water)1.19
Atmospheric OH Rate Constant4.02E-14 cm3/molecule-sec
Water solubility1.52E+04 mg/L
Melting Point-9.37E+01 ° C
Henry's Law Constant0.00734 atm-m3/mole
Boiling Point3.5 ° C
Vapor Pressure1620 mm Hg
Boiling Point4 °C
Storage Temperature2-8°C
Melting Point-94 °C
Refractive Index1.4432
Water solubility1.522 g/100 mL
Vapor Pressure1420 mm Hg ( 20 °C)
StabilityStable. Incompatible with oxidizing agents, strong acids. This is an ozone-depleting chemical, and its use is restricted in many countries.
Merck13,6056
Flash Point-34 °C
Density3.3 g/mL at 25 °C
Vapor Density3.3 (20 °C, vs air)
CAS72-43-5
FormulaC16H15Cl3O2
Synonymp,p'-Methoxychlor, 1,1-bis-(p-Methoxyphenyl)-2,2,2- trichloroethane, Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-, Ethane, 1,1,1-trichloro-2,2-bis(p-methoxyphenyl)-, p,p'-(Dimethoxydiphenyl)trichloroethane, p,p'-DMDT, Di(p-methoxyphenyl)trichloromethyl methane, Dimethoxy-DDT, Dimethoxy-dt, DMDT, Marlate, Methoxy-DDT, Metox, 1,1,1-Trichloro-2,2-bis(p-methoxyphenyl)ethane, 1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane, 2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane, Ethane, 2,2-bis(p-anisyl)-1,1,1-trichloro-, ENT 1,716, Maralate, Methoxcide, Metoksychlor, MeOCl, Moxie, NCI-C00497, 1,1,1-Trichloro-2,2-bis(p-anisyl)ethane, 1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene), 2,2-Bis(p-anisyl)-1,1,1-trichloroethane, 2,2-Di(p-anisyl)-1,1,1-trichloroethane, 2,2-Di(p-methoxyphenyl)-1,1,1-trichloroethane, Chemform, Dianisyltrichlorethane, Double-M ec, p,p'-Dwumetoksydwufenylotrojchloroetan, Flo pro mcseed protectant, Methoxychlore, Methoxychlor 2 EC, Mezox K, OMS 466, RCRA Waste number U247, 1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan, 1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane, 2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane, 4,4-(2,2,2-Trichloroethylidene)dianisole, Benzene, 1,1'-(2,2,2-trichloroethylidene)bis*4-methoxy-, pMethoxychlor, 2,2-Bis (p-methoxyphenol)-1,1,1-trichloroethane, Higalmetox, Mesox K, Methoxychlor, 2,2-Bis (p-anisyl)-1,1,1-trichlrooethane, 2,2-Bis (p-methoxyphenol)-1,1,1-trichloroethane, Dianisyl trichlorethane, 2,2-Di-p-anisyl-1,1,1-trichloroethane, Dimethoxy DDT Di (p-methoxyphenyl) trichloromethyl methane, DMDT, p,p-DMDT, p,p-Methoxychlor, Methoxy DDT 1,1,1-Trichlor-2,2-bis (4-methoxyphenyl) ethane, 1,1,1-Trichloro-2,2-bis (p-anisyl) ethane, 1,1,1,-Trichloro-2,2-bis (p-methoxyphenol) ethanol, 1,1,1-Trichloro-2,2-di (4-methoxyphenyl) ethane, 1,1-(2,2,2-Trichloroethylidene) bis (4-methoxybenzene)
Molecular weight345.65
InChI1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
Melting Point87 ° C
log P (octanol-water)5.08
Boiling Point346 ° C
Vapor Pressure2.58E-06 mm Hg
Water solubility0.1 mg/L
Atmospheric OH Rate Constant5.35E-11 cm3/molecule-sec
Henry's Law Constant2.03E-07 atm-m3/mole
CAS709-98-8
FormulaC9H9Cl2NO
Synonym3',4'-Dichloropropionanilide, Propanil, N-(3,4-Dichlorophenyl) propanamide, N-(3,4-Dichlorophenyl) propionamide, 3,4-Dichloropropionanilide, DPA, Pronanil Propanid, Propionic acid-3,4-dichloroanilide
Molecular weight218.08
InChI1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
CAS684-93-5
FormulaC2H5N3O2
SynonymUrea, 1-methyl-1-nitroso-, N-Methyl-N-nitrosourea, N-Nitroso-N-methylcarbamide, N-Nitroso-N-methylurea, NSC 23909, 1-Methyl-1-Nitrosourea, 1-Nitroso-1-methylurea, Methylnitroso-harnstoff, Methylnitrosourea, Methylnitrosouree, MNU, N-Methyl-N-nitroso-harnstoff, N-Nitroso-N-methyl-harnstoff, Nitrosomethylurea, NMH, NMU, SKI 24464, SRI 859, Carbamide, N-methyl-N-nitroso-, 1-Methyl-1-nitrosomocovina, Rcra waste number U177, N-Nitroso-N-methylurea, Methylnitrosourea, 1-Methyl-1-nitrosourea, N-Methyl-N-nitrosourea, MNU, N-Nitroso-N-methylcarbamide Nitrosomethylurea, 1-Nitroso-1-methylurea, NMU, Urea, N-methyl-N-nitroso-
Molecular weight103.08
InChI1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
CAS68359-37-5
FormulaC22H18Cl2FNO3
SynonymCyfluthrin, Cyfluthrin, 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano (4-fluoro-3-phenxyphenyl) methyl ester
Molecular weight434.29
InChI1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
CAS67485-29-4
FormulaC25H24F6N4
Synonym2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, (3-(4-(trifluoromethyl)phenyl)-1-(2-(4-(trifluoromethyl)phenyl)ethenyl)-2-propenylidene)hydrazone, AC 217300, Amdro, CL 217300, Combat, Matox, Maxforce, Wipeout, 1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one (5,5-dimethyltetrahydro-2(1H)-pyrimidinylidene)hydrazone, 1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone, Hydramethylnon, 1,5-Bis (a,a,a-trifluoro-p-tolyl)-1,4-pentadiene-3-one (1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl) hydrazone
Molecular weight494.48
InChI1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+
CAS66441-23-4
FormulaC18H16ClNO5
SynonymFenoxaprop-ethyl, ()-2-[4-[(6-Chloro-2-benzoxazoyl) oxy] phenoxy] propanoic acid ethyl ester, Ethyl 2-[4-(6-chlorobenzoxazol-2-yloxy) phenoxy] propionate
log P (octanol-water)4.950
Melting Point84 ° C
Atmospheric OH Rate Constant3.35E-11 cm3/molecule-sec
Water solubility0.9 mg/L
CAS66-81-9
FormulaC15H23NO4
SynonymCycloheximide, Actidone, 3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl) glutarimide, b-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl) glutarimide, Neocycloheximide
CAS63938-10-3
FormulaCHClFCF3
SynonymChlorotetrafluoroethane, Monochlorotetrafluoroethane
CAS636-21-5
FormulaC7H10ClN
SynonymBenzenamine, 2-methyl-, hydrochloride, o-toluidinium chloride, o-Toluidine hydrochloride, 1-Amino-2-methylbenzene hydrochloride, 2-Amino-1-methylbenzene hydrochloride, 2-Aminotoluene hydrochloride, o-Aminotoluene hydrochloride, Benzenamine, 2-methyl-, hydrochloride 1-Methyl-2-aminobenzene hydrochloride, 2-Methyl-1-aminobenzene hydrochloride, 2-Methylaniline hydrochloride, o-Methylaniline hydrochloride, 2-Methylbenzenamine hydrochloride o-Methylbenzenamine hydrochloride, 2-Toluidine hydrochloride, o-Toluidin hydrochloride, o-Tolylamine hydrochloride
Molecular weight143.61
InChI1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
CAS630-20-6
FormulaC2H2Cl4
SynonymEthane, 1,1,1,2-tetrachloro-, CH2ClCCl3, NCI-C52459, Rcra waste number U208, 1,1,1,2-Tetrachloroethane, Ethane, 1,1,1,2-tetrachloro-, asym-Tetrachloroethane
Molecular weight167.85
InChI1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
CAS624-83-9
FormulaC2H3NO
SynonymMethane, isocyanato-, Isocyanic acid, methyl ester, CH3NCO, Isocyanate de methyle, Isocyanatomethane, Methyl carbonimide, Methyl isocyanat, Methylisocyanaat, Metil isocianato, MIC, Methylisokyanat, Rcra waste number P064, TL 1450, UN 2480, NSC 64323, Methyl isocyanate, Isocyanatomethane, Isocyanic acid, methyl ester, Methylcarboxylamine, MIC
Molecular weight57.05
InChI1S/C2H3NO/c1-3-2-4/h1H3
CAS62-75-9
FormulaC2H6N2O
SynonymN-Nitrosodimethylamine, DMNA, Methanamine, N-methyl-N-nitroso-, Dimethylamine, N-nitroso-, DMN, N-Nitroso-N,N-Dimethylamine, (CH3)2NNO, Dimethylnitrosamin, Dimethylnitrosoamine, N-Methyl-N-nitrosomethanamine, N,N-Dimethylnitrosamine, NDMA, Nitrosodimethylamine, Rcra waste number P082, NSC 23226, N-Nitrosodimethylamine, Dimethylamine, N-nitroso-, Dimethylnitrosamine, N,N-Dimethylnitrosamine, Dimethylnitrosoamine, DMN DMNA, Methamine, N-methyl-N-nitroso-, Methanamine, N-methyl-N-nitroso-, N-Methyl-N-nitrosomethanamine, NDMA Nitrosodimethylamine, N-Nitroso-N,N-dimethylamine, Nitrous dimethylamide
Molecular weight74.08
InChI1S/C2H6N2O/c1-4(2)3-5/h1-2H3
CAS62-55-5
FormulaC2H5NS
SynonymAcetamide, thio-, Acetimidic acid, thio-, Acetothioamide, Thiacetamide, Thioacetamide, TAA, CH3CSNH2, USAF CB-21, USAF EK-1719, Rcra waste number U218, NSC 2120, Thioacetamide, Acetothioamide, Ethanethioamide, Thioacetamidic acid
Molecular weight75.13
InChI1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
Molecular weight220.98
SMILESCOP(=O)(OC)OC=C(Cl)Cl
InChI1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
Atmospheric OH Rate Constant9.41E-12 cm3/molecule-sec
Melting Point< 25 &deg; C
Henry's Law Constant5.74E-07 atm-m3/mole
log P (octanol-water)1.47
Water solubility8000 mg/L
Boiling Point234.1 &deg; C
Vapor Pressure0.0158 mm Hg
CAS615-05-4
FormulaC7H10N2O
Synonym4-methoxy- 1,3-benzenediamine, 2,4-Diaminoanisol, m-Phenylenediamine, 4-methoxy-, C.I. Oxidation Base 12, C.I. 76050, Furro L, Pelagol DA, Pelagol Grey L, Pelagol L, 1,3-Diamino-4-methoxybenzene, 2,4-Diaminoanisole, 4-Methoxy-m-phenylenediamine, 4-Methoxy-1,3-phenylenediamine, Anisole, 2,4-diamino-, 2,4 DAA, 2,4-Diamineanisole, 2,4-Diaminoanisole base, m-Diaminoanisole 1,3-diamino-4-methoxybenzene, 2,4-Diamino-1-methoxybenzene, p-Methoxy-m-phenylenediamine, 4-MMPD, 4-Methoxy-m-phenylenediamine, 1,3-Benzenediamine, 4-methoxy-, CI 76050, 2,4-DAA, 2,4-Diamineanisole, 2,4-Diaminoanisole m-Diaminoanisole 1,3-diamino-4-methoxybenzene, 2,4-Diamino-1-methoxybenzene, p-Methoxy-m-phenylenediamine, 4-MMPD, Oxidative base 12
Molecular weight138.17
InChI1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3
CAS6109-97-3
FormulaC14H14N2.ClH
Synonym3-Amino-9-ethylcarbazole hydrochloride, 3-Amino-9-ethylcarbazole monohydrochloride, 3-Amino-9-ethylcarbozole hydrochloride, CCRIS 5885, EINECS 228-072-0, NCI-C03043, NSC 7426, UNII-12C4938KM9, (9-Ethyl-9H-carbazol-3-yl)ammonium chloride, 3-Amino-9-ethylcarbazole hydrochloride, 9H-Carbazol-3-amine, 9-ethyl-, monohydrochloride (1:1), Carbazole, 3-amino-9-ethyl-, hydrochloride, Superlist Name 3-Amino-9-ethylcarbazole hydrochloride, Registry Numbers CAS Registry Number 6109-97-3, FDA UNII 12C4938KM9, Related Registry Number 132-32-1 (Parent), System Generated Number 0006109973, Molecular Formulas ?Molecular Formula C14-H14-N2.Cl-H, Molecular Formula Fragments C14-H14-N2, Cl-H, COMPONENT, 3-Amino-9-ethylcarbazole hydrochloride, 3-Amino-N-carbazole HCl, 3-Amino-9-ethylcarbazole HCl, 9-Amino ethyl carbazole hydrochloride
Molecular weight246.74
SMILESCCn1c2ccccc2c3c1ccc(c3)[NH3+].[Cl-]
CAS60168-88-9
FormulaC17H12Cl2N2O
Synonym(2-Chlorophenyl)-(4-chlorophenyl)-(5-pyrimidinyl)carbinol, 5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-, Rubigan, a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol, BLOC, (2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol, EL 222, Rimidin, 2,4'-dichloro-a(pyrimidin-5-yl)benzhydryl alcohol, Fenarimol, (2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol, a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol, 2,4-Dichloro-a-(pyrimidin-5-yl) benzhydryl alcohol, 5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-
Molecular weight331.20
InChI1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
CAS60-34-4
FormulaCH6N2
SynonymHydrazine, methyl-, Monomethylhydrazine, MMH, CH3NHNH2, Hydrazomethane, 1-Methylhydrazine, Metylohydrazyna, Rcra waste number P068, UN 1244, Methylhydrazine, Hydrazine, methyl-, Hydrazomethane, 1-Methylhydrazine, MMH, Monomethylhydrazine
Molecular weight46.07
InChI1S/CH6N2/c1-3-2/h3H,2H2,1H3
Atmospheric OH Rate Constant6.50E-11 cm3/molecule-sec
Boiling Point87.5 &deg; C
Henry's Law Constant3.03E-06 atm-m3/mole
Vapor Pressure50 mm Hg
Water solubility1.00E+06 mg/L
pKa Dissociation Constant7.87
log P (octanol-water)-1.05E+00
Melting Point-5.24E+01 &deg; C
Molecular weight229.26
SMILESP(=S)(SCC(=O)NC)(OC)OC
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 &deg; C
Water solubility2.50E+04 mg/L
Atmospheric OH Rate Constant7.90E-11 cm3/molecule-sec
CAS60-09-3
FormulaC12H11N3
SynonymBenzenamine, 4-(phenylazo)-, C.I. Solvent Yellow 1, p-(Phenylazo)aniline, p-Aminoazobenzol, p-Aminodiphenyldiimide, Aniline Yellow, Brasilazina Oil Yellow G, C.I. 11000, Cellitazol R, Ceres Yellow R, Fast Spirit Yellow, Fat Yellow AAB, Induline R, Oil Soluble Aniline Yellow, Oil Yellow AAB, Oil Yellow AB, Oil Yellow AN, Oil Yellow B, Organol Yellow 2A, Solvent Yellow 1, Somalia Yellow 2G, Sudan Yellow R, 4-Aminoazobenzene, 4-Aminoazobenzol, 4-Phenylazoaniline, p-(Phenolazo)aniline, p-(Phenylazo)phenylamine, p-Amimoazobenzene, Aminoazobenzene, Aniline, p-(phenylazo)-, Azobenzene, 4-amino-, C.I. Solvent Blue 7, Fast Spirit Yellow AAB, Oil Yellow R, Oil Yellow 2G, Oil-Sol. Aniline Yellow, Organol Yellow, Stearix Brown 4R, Sudan Yellow RA, USAF EK-1375, 4-(Phenylazo)benzenamine, 4-Amino-1,1'-azobenzene, 4-Benzeneazoaniline, Paraphenolazo aniline, Zlut anilinova, Zlut rozpoustedlova 1, Benzenamine, 4-(2-phenyldiazenyl)-, p-Aminodiphenylimide, p-Phenylazoaniline, AAB, Aminoazobenzene, 4-Aminoazobenzene, 4-Amino-1,1-azobenzene, p-Aminoazobenzene 4-Aminoazobenzol, p-Aminoazobenzol, p-Aminodiphenylimide, Aniline, p-(phenylazo), Aniline yellow Azobenzene, 4-amino-, Benzenamine, 4-(phenylazo)-, 4-Benzeneazoaniline, CI 11000, Organol yellow Paraphenolazo aniline, 4-(Phenylazo) aniline, p-(Phenylazo) aniline, 4-(Phenylazo) benzenamine, p-Phenylazophenylamine Solvent blue 7, Solvent yellow 1
Molecular weight197.24
InChI1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
Molecular weight225.29
InChI1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3
CAS594-42-3
FormulaCCl4S
Synonym(Trichloromethane)sulfenyl chloride, (Trichloromethyl)sulfenyl chloride, Perchloromethyl mercaptan, Clairsit, Mercaptan methylique perchlore, Perchlormethylmerkaptan, PCM, Rcra waste number P118, Trichloromethanesulphenyl chloride, Trichloromethylsulphenyl chloride, UN 1670, NSC 66404, Perchloromethanethiol, Perchloromethyl mercaptan, PCM, Perchloromethanethiol, Thiocarbonyl tetrachloride, Trichloromethane sulfenyl chloride, Trichloromethane sulfonyl chloride Trichloromethane sulphenyl chloride, Trichloromethanethiol, Trichloromethylsulfenyl chloride, Trichloromethylsulphenyl chloride
Molecular weight185.89
InChI1S/CCl4S/c2-1(3,4)6-5
CAS593-60-2
FormulaC2H3Br
SynonymBromoethylene, Ethene, bromo-, Bromoethene, Ethylene, bromo-, C2H3Br, Bromure de vinyle, NCI-C50373, UN 1085, Vinylbromid, Saytex VBR, Vinyl bromide, Bromoethene, Bromoethylene, VBR, Vinyl bromide, inhibited
Molecular weight106.95
InChI1S/C2H3Br/c1-2-3/h2H,1H2
CAS591-78-6
FormulaC6H12O
SynonymHexan-2-one, Methyl butyl ketone, MBK, Butyl methyl ketone, n-Butyl methyl ketone, Methyl n-butyl ketone, 2-Oxohexane, n-C4H9COCH3, Hexanone-2, Ketone, butyl methyl, MNBK, Propylacetone, 2-Hexanone, Butyl methyl ketone, N-Butyl methyl ketone, Hexanone-2, Ketone, butyl methyl, MBK Methyl butyl ketone, Methyl N-butyl ketone, MNBK, Propylacetone, N-Propyl acetone
Molecular weight100.16
InChI1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
Henry's Law Constant9.32E-05 atm-m3/mole
Atmospheric OH Rate Constant9.10E-12 cm3/molecule-sec
Water solubility1.75E+04 mg/L
Boiling Point127.6 &deg; C
log P (octanol-water)1.38
Melting Point-5.55E+01 &deg; C
Vapor Pressure11.6 mm Hg
CAS5902-51-2
FormulaC8H13ClN2O2
Synonym2,4(1H,3H)-Pyrimidinedione, 5-chloro-3-(1,1-dimethylethyl)-6-methyl-, Uracil, 3-tert-butyl-5-chloro-6-methyl-, Du Pont 732, Experimental Herbicide 732, Sinbar, Turbacil, 3-tert-Butyl-5-Chloro-6-methyluracil, 3-tert.Butyl-5-chlor-6-methyluracil, 5-Chloro-3-tert-butyl-6-methyluracil, 5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione, Compound 732, Du Pont herbicide 732, 5-Chloro-3-(1,1-dimethylethyl)-6-methyl-pyrimidinedione, DPX-D732, Geonter, Herbicide 732, Terbacil, 3-t-Butyl-5-chloro-6-methyl uracil, 5-Chloro-3-t-butyl-6-methyluracil, 5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione, 2,4 (1H,3H)-Pyrimidinedione, 5-chloro-3-(1,1-dimethylethyl)-6-methyl-
Molecular weight204.65
log P (octanol-water)1.89
Atmospheric OH Rate Constant7.49E-12 cm3/molecule-sec
Henry's Law Constant1.20E-10 atm-m3/mole
pKa Dissociation Constant9
Melting Point176 &deg; C
Water solubility710 mg/L
Vapor Pressure4.70E-07 mm Hg
InChI1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
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