4-(1H-imidazol-1-ylmethyl)benzoic acid

Basic Information

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CAS Number

94084-75-0

Molecular Formula

C11H10N2O2

Molecular Weight

202.21 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

SMILES

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C1=CC(=CC=C1CN2C=CN=C2)C(=O)O

InChI

InChI=1S/C11H10N2O2/c14-11(15)10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2,(H,14,15)

InChIKey

PBTHRDAMTTXZFL-UHFFFAOYSA-N

LogP

1.6296

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

225

Synonyms & References

English

4-(1H-imidazol-1-ylmethyl)Benzoic acid
4-(imidazol-1-ylmethyl)benzoic Acid
4-((1H-Imidazol-1-yl)methyl)benzoic acid
4-[(1H-imidazol-1-yl)methyl]benzoic acid
4-(imidazolylmethyl)benzoic acid
PBTHRDAMTTXZFL-UHFFFAOYSA-N
SBB045285
BBL031427
STL259912
AM806006
4-(1h-imidazole-1-ylmethyl) benzoic acid
Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-
T8303
4-(1H-Imidazol-1-ylmethyl)benzoic acid (ACI)
OKY 070
imbz
MFCD09736739
4-(1H-imidazol-1-ylmethyl)benzoic acid
94084-75-0
4-((1H-Imidazol-1-yl)methyl)benzoicacid
SY123043
DA-23000
VS-10490
Z240086362
CS-0035980
SCHEMBL4492287
AKOS000142557
EN300-37084
YSCK0036
F2158-0085
CHEMBL160003

MDL Number

MFCD09736739

FAQ

What are the physical and chemical properties of 4-(1H-imidazol-1-ylmethyl)benzoic acid (CAS: 94084-75-0)?

4-(1H-imidazol-1-ylmethyl)benzoic acid is a solid with a crystalline form. Its molecular weight is approximately 230.22 g/mol. The compound is poorly soluble in water but more soluble in organic solvents like ethanol and acetone. It is reactive towards basic conditions and can undergo hydrolysis. This compound is often used in organic synthesis and pharmaceutical applications.

How is 4-(1H-imidazol-1-ylmethyl)benzoic acid (CAS: 94084-75-0) typically synthesized?

4-(1H-imidazol-1-ylmethyl)benzoic acid is commonly synthesized via a multistep process involving the reaction of benzoic acid with 1H-imidazole. The reaction requires the use of anhydrous conditions and an appropriate solvent. The yield is generally good, and the product can be purified by recrystallization from ethanol or acetone. This synthesis typically involves mild conditions to avoid side reactions.

What industries use 4-(1H-imidazol-1-ylmethyl)benzoic acid (CAS: 94084-75-0)?

4-(1H-imidazol-1-ylmethyl)benzoic acid is utilized in various industries, particularly in the pharmaceutical sector for its potential as an intermediate in drug synthesis. It also finds applications in the polymer industry for the development of new materials, and in the sensor industry for its ability to act as a functional group for sensor fabrication. Additionally, it is used in the semiconductor industry for certain fabrication processes.

What precautions should be taken when handling 4-(1H-imidazol-1-ylmethyl)benzoic acid (CAS: 94084-75-0)?

When handling 4-(1H-imidazol-1-ylmethyl)benzoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. In the event of a spill, it should be carefully cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.