((1-(p-Fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitri le
Names
[ CAS No. ]:
77952-80-8
[ Name ]:
((1-(p-Fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitri le
Chemical & Physical Properties
[ Density]:
1.39g/cm3
[ Boiling Point ]:
503ºC at 760 mmHg
[ Molecular Formula ]:
C13H11FN4O2S
[ Molecular Weight ]:
306.31500
[ Flash Point ]:
258ºC
[ Exact Mass ]:
306.05900
[ PSA ]:
112.73000
[ LogP ]:
3.42598
[ Index of Refraction ]:
1.645
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AM0190000
- CHEMICAL NAME :
- Acetonitrile, ((1-(p-fluorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-y l)thio)-
- CAS REGISTRY NUMBER :
- 77952-80-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H11-F-N4-O2-S
- MOLECULAR WEIGHT :
- 306.34
- WISWESSER LINE NOTATION :
- T5N CNJ A1R DF& B1 DNW ES1CN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 780 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: 15,97,1981
Safety Information
[ HS Code ]:
2933290090
Synthetic Route
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%