2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
Names
[ CAS No. ]:
110579-01-6
[ Name ]:
2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
[Synonym ]:
Acetonitrile,((1-methyl-4-nitro-1H-imidazol-5-yl)thio)
((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
Acetonitrile,2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]
Chemical & Physical Properties
[ Density]:
1.5g/cm3
[ Boiling Point ]:
453.2ºC at 760mmHg
[ Molecular Formula ]:
C6H6N4O2S
[ Molecular Weight ]:
198.20200
[ Flash Point ]:
227.9ºC
[ Exact Mass ]:
198.02100
[ PSA ]:
112.73000
[ LogP ]:
1.46718
[ Vapour Pressure ]:
2.11E-08mmHg at 25°C
[ Index of Refraction ]:
1.679
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AM0930000
- CHEMICAL NAME :
- Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
- CAS REGISTRY NUMBER :
- 110579-01-6
- 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 :
- 60 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
Safety Information
[ HS Code ]:
2933290090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933290090
[ Summary ]:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%