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