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Product Name: ((1-(p-Fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitri le
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77952-80-8

77952-80-8 structure

77952-80-8 structure

Name: ((1-(p-Fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitri le
Chemical Name: 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile
CAS Number: 77952-80-8
Molecular Formula: C₁₃H₁₁FN₄O₂S
Molecular Weight: 306.31500
Create Date: 2017-02-07 21:54:34
Modify Date: 2024-01-11 17:16:03

Name	2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile

Density	1.39g/cm3
Boiling Point	503ºC at 760 mmHg
Molecular Formula	C₁₃H₁₁FN₄O₂S
Molecular Weight	306.31500
Flash Point	258ºC
Exact Mass	306.05900
PSA	112.73000
LogP	3.42598
Index of Refraction	1.645

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM0190000

CHEMICAL NAME :: Acetonitrile, ((1-(p-fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-y l)thio)-

CAS REGISTRY NUMBER :: 77952-80-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H11-F-N4-O2-S

MOLECULAR WEIGHT :: 306.34

WISWESSER LINE NOTATION :: T5N CNJ A1R DF& B1 DNW ES1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 780 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,97,1981

HS Code	2933290090

107-14-2 structure

107-14-2

77952-62-6 structure

77952-62-6

~72%

77952-80-8 structure

77952-80-8

Literature: Iradyan, M. A.; Stepanyan, G. M.; Aivazyan, A. Kh.; Mirzoyan, V. S.; Avetyan, Sh. A.; et al. Pharmaceutical Chemistry Journal, 1981 , vol. 15, # 2 p. 97 - 103 Khimiko-Farmatsevticheskii Zhurnal, 1981 , vol. 15, # 2 p. 40 - 46

68019-72-7 structure

68019-72-7

~%

77952-80-8 structure

77952-80-8

Literature: Iradyan, M. A.; Stepanyan, G. M.; Aivazyan, A. Kh.; Mirzoyan, V. S.; Avetyan, Sh. A.; et al. Pharmaceutical Chemistry Journal, 1981 , vol. 15, # 2 p. 97 - 103 Khimiko-Farmatsevticheskii Zhurnal, 1981 , vol. 15, # 2 p. 40 - 46

HS Code	2933290090
Summary	2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%