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C06817

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Product Description

PRODUCT

C06817

CAS #

28981-97-7

SYNONYM

4H-[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

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FORMULA

C17H13ClN4

Typical Product Specifications

MOLECULAR WEIGHT

308.77

EINECS

249-349-2

SMILES

c12c(C(c3ccccc3)=NCc3n1c(nn3)C)cc(Cl)cc2

INCHI

1S/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

INCHIKEY

VREFGVBLTWBCJP-UHFFFAOYSA-N

VAPOR PRESSURE

1.65E-08 mm Hg

WATER SOLUBILITY

13.1 mg/L

ATMOSPHERIC OH RATE CONSTANT

7.62E-12 cm3/molecule-sec

HENRY'S LAW CONSTANT

9.77E-12 atm-m3/mole

LOG P (OCTANOL-WATER)

2.12

STORAGE TEMPERATURE

2-8°C

FLASH POINT

11 °C

SOLUBILITY

H2O: insoluble

MELTING POINT

228-228.50C

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