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

  • 5-Methoxy-6-(nitromethyl)-1,3-dioxaindane
  • 5-(4-Fluoropyridin-2-yl)-1,3-oxazolidin-2-one
  • 1-(But-3-yn-2-yl)-5-chloro-2,3-dimethoxybenzene
  • 1-({[(5-Chlorofuran-2-yl)methyl]sulfanyl}methyl)-2-azabicyclo[2.1.1]hexane
  • 4-chloro-1-methyl-5-[(pyrrolidin-3-yl)methyl]-1H-imidazole
  • [4-(4-Chloro-3-methylphenyl)-2-methylbutyl](methyl)amine
  • (Z)-2,2',3,3'-tetrahydro-[1,1'-biindenylidene]-6,6'-diol
  • 3-Amino-4-ethylthian-4-ol
  • (2R)-4-(2-chloro-5-methylphenyl)butan-2-ol
  • [1-(5-Bromo-2-chloropyridin-3-yl)cyclopropyl]methanamine
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