N-methyl-4,6-dinitro-1H-benzoimidazol-5-amine

Modify Date: 2023-09-11 20:17:47

N-methyl-4,6-dinitro-1H-benzoimidazol-5-amine Structure
N-methyl-4,6-dinitro-1H-benzoimidazol-5-amine structure
Common Name N-methyl-4,6-dinitro-1H-benzoimidazol-5-amine
CAS Number 72766-37-1 Molecular Weight 237.17200
Density 1.715g/cm3 Boiling Point 581.5ºC at 760 mmHg
Molecular Formula C8H7N5O4 Melting Point N/A
MSDS N/A Flash Point 305.5ºC

 Names

Name N-methyl-4,6-dinitro-1H-benzimidazol-5-amine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.715g/cm3
Boiling Point 581.5ºC at 760 mmHg
Molecular Formula C8H7N5O4
Molecular Weight 237.17200
Flash Point 305.5ºC
Exact Mass 237.05000
PSA 132.35000
LogP 2.54040
Index of Refraction 1.804
InChIKey FETWFLSLQGIUBV-UHFFFAOYSA-N
SMILES CNc1c([N+](=O)[O-])cc2[nH]cnc2c1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD5423400
CHEMICAL NAME :
1H-Benzimidazol-5-amine, 4,6-dinitro-N-methyl-
CAS REGISTRY NUMBER :
72766-37-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N5-O4
MOLECULAR WEIGHT :
237.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 17,164,1979

 Synonyms

5-Methylamino-4,6-dinitrobenzimidazol
4,6-Dinitro-N-methyl-1H-benzimidazol-5-amine
(4,6-dinitro-1(3)H-benzoimidazol-5-yl)-methyl-amine
1H-Benzimidazol-5-amine,4,6-dinitro-N-methyl
N-METHYL-4,6-DINITRO-1H-BENZOIMIDAZOL-5-AMINE
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