1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole

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Names

[ CAS No. ]:
16156-90-4

[ Name ]:
1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole

[Synonym ]:
1-(2-iodoethyl)-2-methyl-5-nitroimidazole

Chemical & Physical Properties

[ Density]:
2.03g/cm3

[ Boiling Point ]:
395.1ºC at 760mmHg

[ Molecular Formula ]:
C6H8IN3O2

[ Molecular Weight ]:
281.05100

[ Flash Point ]:
192.8ºC

[ Exact Mass ]:
280.96600

[ PSA ]:
63.64000

[ LogP ]:
2.05790

[ Vapour Pressure ]:
4.29E-06mmHg at 25°C

[ Index of Refraction ]:
1.689

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI6350000
CHEMICAL NAME :
Imidazole, 1-(2-iodoethyl)-2-methyl-5-nitro-
CAS REGISTRY NUMBER :
16156-90-4
BEILSTEIN REFERENCE NO. :
0611687
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H8-I-N3-O2
MOLECULAR WEIGHT :
281.07
WISWESSER LINE NOTATION :
T5N CNJ A2I 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 :
320 mg/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

  • 1-(2-chloroethyl)-2-methyl-5-nitro-imidazol
  • 1-(2-BROMO-ETHYL)-2-METHYL-5-NITRO-1H-IMIDAZOLE
  • Metronidazole
  • 2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate

DownStream

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-Iodoethyl)-2-methyl-4-nitro-1H-imidazole
  • 1-[2-(ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole
  • 1-(2,3-Dichloropropyl)-2-methyl-5-nitro-1H-imidazole
  • 1-(2-BROMO-ETHYL)-2-METHYL-5-NITRO-1H-IMIDAZOLE
  • 1-[2-(2-Chloroethoxy)ethyl]-2-methyl-5-nitro-1H-imidazole
  • 1-[2-(2-Iodoethoxy)ethyl]-2-methyl-5-nitro-1H-imidazole
  • 1-[4-(Piperidin-3-ylmethoxy)benzoyl]piperidine hydrochloride
  • 4-[4-(Piperidin-3-ylmethoxy)benzoyl]morpholine hydrochloride
  • N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzamide hydrochloride
  • N-cyclopropyl-4-(piperidin-4-ylmethoxy)benzamide hydrochloride
  • N-cyclopropyl-3-(piperidin-3-ylmethoxy)benzamide hydrochloride
  • N-Isopropyl-4-(piperidin-4-ylmethoxy)benzamide
  • 4-[4-(Piperidin-4-ylmethoxy)benzoyl]morpholine hydrochloride
  • Methyl 2-propylpiperidine-2-carboxylate
  • 3-(4-Benzyl-1,2,4-triazol-3-yl)piperidine
  • (9-Methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl) methanesulfonate
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