5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
Names
[ CAS No. ]:
110579-15-2
[ Name ]:
5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
[Synonym ]:
1H-Imidazole,5-((2-chloroethyl)thio)-1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro
5-((2-Chloroethyl)thio)-1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazole
Chemical & Physical Properties
[ Density]:
1.51g/cm3
[ Boiling Point ]:
595.5ºC at 760 mmHg
[ Molecular Formula ]:
C14H15ClN4O5S
[ Molecular Weight ]:
386.81100
[ Flash Point ]:
314ºC
[ Exact Mass ]:
386.04500
[ PSA ]:
143.99000
[ LogP ]:
4.44210
[ Vapour Pressure ]:
1.61E-13mmHg at 25°C
[ Index of Refraction ]:
1.653
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NI4395270
- CHEMICAL NAME :
- 1H-Imidazole, 5-((2-chloroethyl)thio)-1-((4-methoxy-3-nitrophenyl)m ethyl)-2-methyl-4-nit ro-
- CAS REGISTRY NUMBER :
- 110579-15-2
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H15-Cl-N4-O5-S
- MOLECULAR WEIGHT :
- 386.84
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 :
- Tumorigenic - active as anti-cancer agent
- 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