1H-Benzimidazole-4-carboxylic acid

Basic Information

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CAS Number

46006-36-4

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

542.5°C at 760 mmHg

SMILES

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C1=CC(=C2C(=C1)NC=N2)C(=O)O

InChI

InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)

InChIKey

VVQNAFBGAWCMLU-UHFFFAOYSA-N

LogP

1.2610999999999999

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

196

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Z1079087298
SY019421
CHEMBL130482
1,3-Benzodiazole-4-carboxylic acid
1,3-benzimidazole-4-carboxylic acid
EN300-114001
F8880-4943
SCHEMBL453513
1H-benzimidazole-4-carboxylic acid
CS-D0827
Benzimidazole-4-carboxylicacid;4-Benzimidazolecarboxylic acid
FS-2575
AC-25570
AM20040518
MFCD01823426
1H-Benzimidazole-7-carboxylicacid
1H-1,3-benzodiazole-4-carboxylic acid
BB 0253713
1H-Benzimidazole-4-carboxylic acid, 97%
7-benzimidazolylcarboxylic acid
FT-0647855
46006-36-4
benzimidazole-4-carboxylic acid
DTXSID90378068
1H-benzoimidazole-4-carboxylic Acid
BCP32363
AB01334554-02
1H-1,3-Benzimidazole-4-carboxylic acid
1H-BENZO[D]IMIDAZOLE-4-CARBOXYLIC ACID
AKOS005152023
W-202814

MDL Number

MFCD01823426

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Benzimidazole-4-carboxylic acid (CAS: 46006-36-4)?

1H-Benzimidazole-4-carboxylic acid is a crystalline solid with a molecular weight of approximately 182.18 g/mol. It is slightly soluble in water and has limited solubility in common organic solvents. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It is used in various applications requiring its chemical reactivity and specific functional groups.

How is 1H-Benzimidazole-4-carboxylic acid (CAS: 46006-36-4) typically synthesized?

1H-Benzimidazole-4-carboxylic acid can be synthesized through the condensation of 2-amino-1-benzimidazole with formic acid. The reaction typically involves heating under basic conditions, followed by purification steps to isolate the desired product. This method ensures high selectivity and yield, making it a common route for laboratory and industrial production.

What industries use 1H-Benzimidazole-4-carboxylic acid (CAS: 46006-36-4)?

1H-Benzimidazole-4-carboxylic acid is used primarily in the pharmaceutical industry for the synthesis of certain drugs, particularly those targeting protein kinase inhibitors. It is also utilized in the production of polymers and as a precursor in the development of chemical sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1H-Benzimidazole-4-carboxylic acid (CAS: 46006-36-4)?

When handling 1H-Benzimidazole-4-carboxylic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and proper safety data sheets (SDS) should be consulted for detailed emergency response procedures.