4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid

Basic Information

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CAS Number

152628-03-0

Molecular Formula

C12H14N2O2

Molecular Weight

218.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

300°C

Boiling Point

491.8°C at 760 mmHg

Flash Point

251.2℃

SMILES

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CCCC1=NC2=C(N1)C=C(C=C2C)C(=O)O

InChI

InChI=1S/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)

InChIKey

XWAJTVCEILFDGU-UHFFFAOYSA-N

LogP

2.52202

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

270

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Methyl-2-propyl-1H-benzimidazole-6-carboxyboxylic acid
1H-Benzimidazole-4-methyl-2-propyl-6-carboxylic Acid
7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic Acid;
7-methyl-2-propyl-3H-benzoimidazole-5-carboxylic Acid
EN300-7373240
AC-6372
7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
6-Carboxy-4-methyl-2-propylbenzimidazole
AM90297
CS-W013161
PCA9BS2RT9
2-n-propyl-4-methyl-6-(1-methyl benzimidazol-2-yl)-benzimidazole
AKOS028109266
2-n-Propyl-4-methyl-6-carboxylate-1H-benzimidazole
J-008938
1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-
XWAJTVCEILFDGU-UHFFFAOYSA-N
4-methyl-2-propyl-1H-1,3-benzodiazole-6-carboxylic acid
NS00006021
AR-011/43491691
AKOS015842423
AS-12499
SCHEMBL158112
FT-0643497
4-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid
152628-03-0
MFCD06656215
2-n-PROPYL-4-METHYL-BENZIMIDAZOLE-6-CARBOXYLIC ACID
DTXSID80437532
SY017258
BCP12223

MDL Number

MFCD06656215

Customs Code

2933990090

FAQ

What is 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0)?

4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0) is a heterocyclic compound containing a benzimidazole ring with a carboxylic acid group at position 6. Its chemical formula is C13H13N2O2, and it exhibits structural features typical of benzimidazole derivatives, including aromaticity and functional groups that may participate in molecular interactions. This compound is valued for its potential applications in chemical synthesis and pharmaceutical research due to its unique molecular framework.

What are the main uses of 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0)?

4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0) is primarily used in pharmaceutical research as a building block for drug development, particularly in antifungal and antiparasitic compounds. It also finds applications in organic synthesis for creating complex molecules and in industrial processes requiring tailored chemical properties. Its versatility makes it relevant for medicinal chemistry and functional material design.

Is 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0) safe?

4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0) is generally considered safe when handled properly, but it requires standard chemical safety precautions. As a carboxylic acid derivative, it may exhibit mild irritancy, so protective equipment like gloves and goggles is recommended. Safety data sheets (SDS) should be consulted for specific guidelines, and it is typically regulated under chemical safety standards for laboratory and industrial use.

How should 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0) be stored?

4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid (CAS: 152628-03-0) should be stored in a cool, dry place (ideally 2-8°C), away from light, and in a sealed, airtight container to maintain stability. It is sensitive to moisture and air, so proper storage conditions are crucial to prevent degradation. Always keep it in a well-ventilated area and follow recommended storage guidelines for chemical safety.