3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile

Names

[ CAS No. ]:
110592-13-7

[ Name ]:
3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile

[Synonym ]:
3-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile
Propanenitrile,3-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)
3-((2-Methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile
Propanenitrile,3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)

Chemical & Physical Properties

[ Density]:
1.43g/cm3

[ Boiling Point ]:
536.2ºC at 760 mmHg

[ Molecular Formula ]:
C7H8N4O2S

[ Molecular Weight ]:
212.22900

[ Flash Point ]:
278.1ºC

[ Exact Mass ]:
212.03700

[ PSA ]:
123.59000

[ LogP ]:
2.15528

[ Vapour Pressure ]:
1.43E-11mmHg at 25°C

[ Index of Refraction ]:
1.606

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ4957000
CHEMICAL NAME :
Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
CAS REGISTRY NUMBER :
110592-13-7
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N4-O2-S
MOLECULAR WEIGHT :
212.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 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

Related Compounds

  • 3-({1-[(Oxolan-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydroquinazolin-4-one
  • N-(oxan-4-yl)-3-{[2-(trifluoromethyl)pyridin-4-yl]oxy}azetidine-1-carboxamide
  • 3-[1-(6-Chloroquinazolin-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
  • 2-{3-[(3-Bromopyridin-4-yl)oxy]pyrrolidin-1-yl}-4-(trifluoromethyl)pyrimidine
  • N-(oxan-4-yl)-3-(pyridin-4-yloxy)azetidine-1-carboxamide
  • 4-[(1-{[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidin-3-yl)oxy]-2-(trifluoromethyl)pyridine
  • 1-(4-fluorophenyl)-N-{[1-(morpholin-4-yl)cyclobutyl]methyl}cyclopropane-1-carboxamide
  • tert-Butyl ((3aS,6S,7aS)-2-oxooctahydrobenzo[d]oxazol-6-yl)carbamate
  • 5-Ethyl-2-[(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)oxy]pyrimidine
  • 2-bromo-N-{[4-(morpholin-4-yl)thian-4-yl]methyl}benzamide
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