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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-((1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)ethanol
  • 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiol, ammonia salt

DownStream

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 3-(Oxolan-2-ylmethylidene)piperidine
  • 2,4-Difluoro-3-hydroxybenzene-1-sulfonyl chloride
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine