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

  • rel-6-((2R,5S)-5-Methylpiperidin-2-yl)quinolin-2(1H)-one
  • 4-(5-Chloro-3-fluoropyridin-2-yl)-2-(4,4-difluoropiperidine-1-carbonyl)morpholine
  • 4-{1,3-dimethyl-1H-thieno[2,3-c]pyrazol-5-yl}piperidin-3-amine
  • N-cyclopropyl-1-(1-phenylethyl)piperidine-4-carboxamide
  • 1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(1,3-thiazol-2-yloxy)piperidine
  • 2-{3-[(5-Methoxypyrimidin-2-yl)oxy]pyrrolidin-1-yl}-4-(trifluoromethyl)pyrimidine
  • N-{1-[(4-methoxyphenyl)methyl]piperidin-3-yl}cyclopropanecarboxamide
  • N-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperidine-4-carboxamide
  • 6-Benzo[b]thien-3-yl-2,3,4,5-tetrahydro-3-methylpyridine
  • N-cyclopropyl-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide
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