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Home> Hot Product Listed 1   > 1H-Benzimidazole,1-methyl-2-nitro-
1092351-67-1 structure

1H-Benzimidazole,1-methyl-2-nitro-

Iupac Name:(2E)-2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol
CAS No.:1092351-67-1
EINECS(EC#): 257-883-2
Molecular Weight:308.345
Molecular Formula:C63H68O21 (isomer)
Properties
Density
1.593 g/cm3
Boiling Point
295.4°Cat760mmHg
Flash Point
245.4°C
Safety and Handling
Safety

Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also AROMATIC AMINES.

Toxicity
1.    

mmo-sat 1 nmol/plate

    MUREAV    Mutation Research. 173 (1986),169.
2.    

orl-mus LD50:500 mg/kg AACHAX -,478,65

3.    

ipr-mus LD50:199 mg/kg AACHAX -,478,65

4.    

scu-mus LD50:375 mg/kg AACHAX -,478,65

Specification

 1-Methyl-2-nitrobenzimidazole with cas registry number of 5709-68-2 is also known as Benzimidazole,1-methyl-2-nitro- ; 1H-benzimidazole, 1-methyl-2-nitro- ; 1-Methyl-2-nitro-1H-benzoimidazole  ; 1-Methyl-2-nitrobenzimidazole ; 1-N-Methyl-2-nitrobenzimidazole . It should be stored in a cool, dry place . 1-Methyl-2-nitrobenzimidazole with cas registry number of 5709-68-2 is used as a drug . It is also used as a pharmaceutical intermediate in synthesis of many useful compounds.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:308.345g/mol
  • Molecular Formula:C63H68O21
  • Compound Is Canonicalized:True
  • Exact Mass:308.139
  • Monoisotopic Mass:308.139
  • Complexity:687
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:99.7A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7oAAAAAAAAAAAAAAAAAAAAWIAAAAsQAAAAAAAAFgBgAAAHgAYCAAADCzBmgQHsJZqEgCg AyZjZACChCkxIKAd+CA4RBiIDADASUAEFAgIgALIkCYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
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