1H-Benzimidazole-5-carbonitrile

Basic Information

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CAS Number

6287-83-8

Molecular Formula

C8H5N3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

462.4℃ at 760 mmHg

Density

1.33±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

147.5°C

Refractive Index

1.684

SMILES

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N#Cc1ccc2[nH]cnc2c1

InChI

InChI=1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)

InChIKey

NICYTXJGZRYCEQ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

193

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1H-BENZIMIDAZOLE-5-CARBONITRILE
1H-benzimidazole-5-carbonitrile(SALTDATA: FREE)
1H-Benzimidazole-6-carbonitrile
1H-benzo[d]imidazole-5-carbonitrile
1H-1,3-Benzodiazole-5-carbonitrile
1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
5-Cyanobenzimidazole
benzimidazole-5-carbonitrile
3H-benzimidazole-5-carbonitrile
5-Benzimidazolecarbonitrile
NICYTXJGZRYCEQ-UHFFFAOYSA-N
NSC12001
1H-BENZOIMIDAZOLE-5-CARBONITRILE
6-cyano-1H-benzimidazol
6-cyano-1H-benzimidazole
benzimidazole-6-carbonitrile
1H-Benz
1H-1,3-benzodiazole-6-carbonitrile

MDL Number

MFCD06809988

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8)?

1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical substances. Specific safety data sheets (SDS) must be prepared and followed for handling and transportation to ensure compliance with these regulations.

Are there alternatives to 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8) in synthesis?

There are several alternatives to 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8) in synthesis, including other benzimidazole derivatives and related heterocycles. Common alternatives include 1H-Benzimidazole-2-carbonitrile and 1H-Benzimidazole-4-carbonitrile. These alternatives may offer similar or improved properties depending on the specific application.

What is the market or research trend for 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8)?

The market for 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8) is growing due to its applications in pharmaceuticals, agrochemicals, and materials science. Research trends focus on developing new derivatives and exploring their potential as biocides, fungicides, and antifungal agents. Additionally, there is increasing interest in its use as an intermediate in the synthesis of other compounds.

How should waste containing 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8) be handled?

Waste containing 1H-Benzimidazole-5-carbonitrile (CAS: 6287-83-8) should be collected in appropriate containers and stored under sealed conditions to prevent environmental contamination. Proper disposal should involve incineration or professional waste disposal services. Safety measures include wearing personal protective equipment (PPE) and following local environmental protection regulations to ensure the safe handling and disposal of this compound.