3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl ]sulfanylpropanenitrile

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Names

[ CAS No. ]:
110579-04-9

[ Name ]:
3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl ]sulfanylpropanenitrile

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

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Boiling Point ]:
645.1ºC at 760mmHg

[ Molecular Formula ]:
C15H15N5O5S

[ Molecular Weight ]:
377.37500

[ Flash Point ]:
343.9ºC

[ Exact Mass ]:
377.07900

[ PSA ]:
167.78000

[ LogP ]:
4.11698

[ Vapour Pressure ]:
1.57E-16mmHg at 25°C

[ Index of Refraction ]:
1.659

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ4890000
CHEMICAL NAME :
Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-ni tro-1H-imidazol-5-yl) thio)-
CAS REGISTRY NUMBER :
110579-04-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H15-N5-O5-S
MOLECULAR WEIGHT :
377.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-chloropropiononitrile
  • 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiol, ammonia salt

DownStream

Related Compounds

  • 4-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-3-hydroxybutanoic acid
  • (2S)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-4-(methylsulfanyl)butanoic acid
  • N-ethyl-3-methyl-4-(3-methylbut-2-en-2-yl)benzene-1-sulfonamide
  • 1-Methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine
  • 5-(Cyclohex-1-en-1-yl)-2-(trifluoromethyl)pyrimidine
  • 7-bromo-3-(cyclohex-1-en-1-yl)-2H-indazole
  • 4-(5-bromo-2-fluorophenyl)-1-methyl-1H-pyrazole
  • 2-(5-bromo-2-fluorophenyl)-N4,N4-dimethylpyridine-3,4-diamine
  • [6-(Cyclohex-1-en-1-yl)pyridazin-3-yl]methanamine
  • 4-(3-Amino-2-fluoro-4-methoxyphenyl)benzamide
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