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

Modify Date: 2026-08-18 13:00:08

1H-Imidazole,1-methyl-2-nitro Structure
1H-Imidazole,1-methyl-2-nitro structure
Common Name 1H-Imidazole,1-methyl-2-nitro
CAS Number 1671-82-5 Molecular Weight 127.10100
Density 1.44g/cm3 Boiling Point 308.9ºC at 760mmHg
Molecular Formula C4H5N3O2 Melting Point N/A
MSDS N/A Flash Point 140.6ºC

 Names

Name 1-methyl-2-nitroimidazole
Synonym More Synonyms

 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
InChIKey HBMINVNVQUDERA-UHFFFAOYSA-N
SMILES Cn1ccnc1[N+](=O)[O-]

 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

 1H-Imidazole,1-methyl-2-nitroBioassay

View more

Name: Ionization constant (pKa)
Source: ChEMBL
Target: N/A
External Id: CHEMBL633000
Name: Dissociation constant was evaluated
Source: ChEMBL
Target: N/A
External Id: CHEMBL633267
Name: Dissociation constant (pKa, calculated using GNN method)
Source: ChEMBL
Target: N/A
External Id: CHEMBL635186
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 Synonyms

1-METHYL-2-NITRO-1H-IMIDAZOLE
1H-Imidazole,1-methyl-2-nitro
Imidazole,1-methyl-2-nitro
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