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110579-01-6

110579-01-6 structure
110579-01-6 structure

Name 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile
Synonyms Acetonitrile,((1-methyl-4-nitro-1H-imidazol-5-yl)thio)
((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
Acetonitrile,2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]
Density 1.5g/cm3
Boiling Point 453.2ºC at 760mmHg
Molecular Formula C6H6N4O2S
Molecular Weight 198.20200
Flash Point 227.9ºC
Exact Mass 198.02100
PSA 112.73000
LogP 1.46718
Vapour Pressure 2.11E-08mmHg at 25°C
Index of Refraction 1.679

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0930000
CHEMICAL NAME :
Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
CAS REGISTRY NUMBER :
110579-01-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N4-O2-S
MOLECULAR WEIGHT :
198.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 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: 21,403,1987
HS Code 2933290090

~73%

110579-01-6 structure

110579-01-6

Literature: Iradyan, M. A.; Ayvazyan, A. Kh.; Mirzoyan, V. S.; Paronikyan, G. M.; Sarkisyan, T. P.; et al. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 6 p. 403 - 408 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 6 p. 667 - 672
Precursor  1

DownStream  0

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%