4,6-Dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine

Modify Date: 2024-03-05 17:27:05

4,6-Dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine Structure
4,6-Dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine structure
Common Name 4,6-Dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine
CAS Number 72766-32-6 Molecular Weight 313.26800
Density 1.574g/cm3 Boiling Point 620.3ºC at 760 mmHg
Molecular Formula C14H11N5O4 Melting Point N/A
MSDS N/A Flash Point 329ºC

 Names

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

 Chemical & Physical Properties

Density 1.574g/cm3
Boiling Point 620.3ºC at 760 mmHg
Molecular Formula C14H11N5O4
Molecular Weight 313.26800
Flash Point 329ºC
Exact Mass 313.08100
PSA 132.35000
LogP 4.11080
Index of Refraction 1.784
InChIKey MAVJXFRWYVFLNB-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc2[nH]cnc2c([N+](=O)[O-])c1NCc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD5423480
CHEMICAL NAME :
1H-Benzimidazol-5-amine, 4,6-dinitro-N-(phenylmethyl)-
CAS REGISTRY NUMBER :
72766-32-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H11-N5-O4
MOLECULAR WEIGHT :
313.30

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 :
>1 gm/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-Benzylamino-4,6-dinitrobenzimidazol
4,6-Dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine
benzyl-(4,6-dinitro-1(3)H-benzoimidazol-5-yl)-amine
1H-Benzimidazol-5-amine,4,6-dinitro-N-(phenylmethyl)
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