1-(2-chloroethyl)-2-methyl-5-nitro-imidazol

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Names

[ CAS No. ]:
13182-81-5

[ Name ]:
1-(2-chloroethyl)-2-methyl-5-nitro-imidazol

[Synonym ]:
unii-8a2r934d6a
f2124-0724

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Boiling Point ]:
364.8ºC at 760 mmHg

[ Molecular Formula ]:
C6H8ClN3O2

[ Molecular Weight ]:
189.60000

[ Flash Point ]:
174.4ºC

[ Exact Mass ]:
189.03100

[ PSA ]:
63.64000

[ LogP ]:
1.86170

[ Vapour Pressure ]:
3.44E-05mmHg at 25°C

[ Index of Refraction ]:
1.604

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI4389000
CHEMICAL NAME :
Imidazole, 1-(2-chloroethyl)-2-methyl-5-nitro-
CAS REGISTRY NUMBER :
13182-81-5
BEILSTEIN REFERENCE NO. :
0611685
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H8-Cl-N3-O2
MOLECULAR WEIGHT :
189.62
WISWESSER LINE NOTATION :
T5N CNJ A2G B1 ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,167,1968

Safety Information

[ HS Code ]:
2933290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Metronidazole
  • ethyl 2-bromoacetate

DownStream

  • N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]phthalimide
  • 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole
  • 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium,chloride
  • 2-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-5-nitroimidazole,chloride
  • sodium,4-methylpiperazine-1-carbodithioate

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%

Related Compounds

  • 1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-piperidin-4-ol
  • 4,4-dimethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-piperidine-2,6-dione
  • Chlorure de <(methyl-2 nitro-5 imidazol-1-yl)-2 ethyl>-1 t-butyl-4 pyridinium
  • 1-dimethylcarbamoyloxy-2-(2-methyl-5-nitro-imidazol-1-yl)-ethane
  • 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperidin-4-one
  • 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 3-cyclobutyl-3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]propanoic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1'-methyl-5,6-dihydro-4H-spiro[furo[2,3-c]pyridine-7,3'-piperidine]
  • 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
  • 1-ethenyl-4-(1-isocyanatocyclopropyl)-1H-pyrazole
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde