1H-Imidazole,1-methyl-2-nitro-

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Names

[ CAS No. ]:
1671-82-5

[ Name ]:
1H-Imidazole,1-methyl-2-nitro-

[Synonym ]:
1-METHYL-2-NITRO-1H-IMIDAZOLE
1H-Imidazole,1-methyl-2-nitro
Imidazole,1-methyl-2-nitro

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
308.9ºC at 760mmHg

[ Molecular Formula ]:
C4H5N3O2

[ Molecular Weight ]:
127.10100

[ Flash Point ]:
140.6ºC

[ Exact Mass ]:
127.03800

[ PSA ]:
63.64000

[ LogP ]:
0.85150

[ Vapour Pressure ]:
0.000662mmHg at 25°C

[ Index of Refraction ]:
1.618

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI7500000
CHEMICAL NAME :
Imidazole, 1-methyl-2-nitro-
CAS REGISTRY NUMBER :
1671-82-5
BEILSTEIN REFERENCE NO. :
0607942
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C4-H5-N3-O2
MOLECULAR WEIGHT :
127.12
WISWESSER LINE NOTATION :
T5N CNJ A1 BNW

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 :
126 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
126 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
158 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
5 umol/L
REFERENCE :
BJCSB5 British Journal of Cancer, Supplement. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2ZS, UK) No.1- 1973- Volume(issue)/page/year: 3,60,1978 *** REVIEWS *** TOXICOLOGY REVIEW ADCMAZ Advances in Chemotherapy. (New York, NY) V.1-3, 1964-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 3,39,1968

Synthetic Route

Precursor & DownStream

Precursor

  • methylimidazole
  • 2-Nitroimidazole
  • Dimethyl sulfate

DownStream

  • 4-bromo-1-methy-2-nitro-1H-imidazole
  • 4,5-dibromo-1-methyl-2-nitroimidazole

Related Compounds

  • 1H-Imidazole,1-methyl-2-nitro-5-vinyl
  • 1H-Imidazole,1-methyl-2-nitro-5-(2-nitro-1-hexenyl)
  • 5-Isopropyl-1-methyl-2-nitro-1H-imidazole
  • 1-methyl-2-nitro-5-(2-nitro-vinyl)-1H-imidazole
  • 1-methyl-2-nitro-5-[(E)-2-phenylethenyl]imidazole
  • 1H-Imidazole,1-methyl-2-(methylsulfonyl)-5-nitro-