2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
Names
[ CAS No. ]:
110579-00-5
[ Name ]:
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
[Synonym ]:
2-((2-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
Acetonitrile,((2-methyl-5-nitro-1H-imidazol-4-yl)thio)
((2-Methyl-5-nitro-1H-imidazol-4-yl)thio)acetonitrile
Chemical & Physical Properties
[ Density]:
1.5g/cm3
[ Boiling Point ]:
506.9ºC at 760 mmHg
[ Molecular Formula ]:
C6H6N4O2S
[ Molecular Weight ]:
198.20200
[ Flash Point ]:
260.3ºC
[ Exact Mass ]:
198.02100
[ PSA ]:
123.59000
[ LogP ]:
1.76518
[ Vapour Pressure ]:
2.14E-10mmHg at 25°C
[ Index of Refraction ]:
1.623
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AM0932000
- CHEMICAL NAME :
- Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
- CAS REGISTRY NUMBER :
- 110579-00-5
- 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 :
- 100 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