5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole

Names

[ CAS No. ]:
110579-14-1

[ Name ]:
5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole

[Synonym ]:
5-((2-Chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro-1H-imidazole
1H-Imidazole,5-((2-chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Boiling Point ]:
503ºC at 760mmHg

[ Molecular Formula ]:
C13H13Cl2N3O2S

[ Molecular Weight ]:
346.23200

[ Flash Point ]:
258ºC

[ Exact Mass ]:
345.01100

[ PSA ]:
88.94000

[ LogP ]:
4.65550

[ Vapour Pressure ]:
9.48E-10mmHg at 25°C

[ Index of Refraction ]:
1.65

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI4395200
CHEMICAL NAME :
1H-Imidazole, 5-((2-chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2- methyl-4-nitro-
CAS REGISTRY NUMBER :
110579-14-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-Cl2-N3-O2-S
MOLECULAR WEIGHT :
346.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

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

DownStream

Related Compounds

  • 2-(Aminomethyl)-5-(difluoromethyl)-3-methylpyridine-6-carboxylic acid
  • 2-(Aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
  • 2-(Aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-6-methanol
  • 2-(Aminomethyl)-5-cyano-3-(difluoromethyl)pyridine-6-methanol
  • 2-(Aminomethyl)-4-cyano-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
  • 2-(Aminomethyl)-4-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
  • 2-(Aminomethyl)-4-cyano-6-(difluoromethyl)pyridine-3-methanol
  • 2-(Aminomethyl)-6-(difluoromethyl)-3-hydroxy-4-nitropyridine
  • 2-(Aminomethyl)-5-(difluoromethyl)-3-fluoro-4-hydroxypyridine
  • 2-(Aminomethyl)-5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine
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