2-phenyl-1H-imidazole-4-carboxylic acid

Basic Information

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CAS Number

77498-98-7

Molecular Formula

C10H8N2O2

Molecular Weight

188.19 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

Melting Point

239 ºC (water )

Boiling Point

495.1°C at 760 mmHg

Density

1.355±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

253.2°C

Refractive Index

1.644

SMILES

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C1=CC=C(C=C1)C2=NC=C(N2)C(=O)O

InChI

InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

InChIKey

XCAXKZJNJCKTQH-UHFFFAOYSA-N

LogP

1.7748999999999997

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

214

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Phenyl-1H-imidazole-4-carboxylic acid
BDBM50329857
PD005019
MFCD00233379
EN300-81411
FT-0750548
Q27097014
1H-Imidazole-4-carboxylic acid, 2-phenyl-
NCGC00339780-01
CHEMBL1232889
AKOS005173647
BB 0262249
CS-D0591
C75097
A865217
Z969202164
77498-98-7
AKOS007930827
HGH57KDY8T
2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLICACIDHYDRATE
HMS3604D08
CCG-256344
DB07803
2-phenyl-3H-imidazole-4-carboxylic Acid
XCAXKZJNJCKTQH-UHFFFAOYSA-N
G14
2-phenyl-1H-imidazole-5-carboxylic acid
2-phenylimidazole-4-carboxylic acid
SCHEMBL1080850
AB01332345-02
1H-Imidazole-5-carboxylicacid, 2-phenyl-

MDL Number

MFCD00233379

FAQ

What regulatory guidelines apply to 2-phenyl-1H-imidazole-4-carboxylic acid (CAS: 77498-98-7)?

2-phenyl-1H-imidazole-4-carboxylic acid (CAS: 77498-98-7) falls under the control of various regulations such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and specific FDA and EPA guidelines in the United States. These regulations cover safety data sheets (SDS), hazard communication, and environmental protection requirements.

Are there alternatives to 2-phenyl-1H-imidazole-4-carboxylic acid (CAS: 77498-98-7) in synthesis?

There are alternative compounds such as 2-phenyl-1H-imidazole-5-carboxylic acid and 4-phenylimidazole, which can be used as alternatives in synthesis. These compounds offer similar functionalities and can serve as effective substitutes depending on the specific application.

What is the market or research trend for 2-phenyl-1H-imidazole-4-carboxylic acid (CAS: 77498-98-7)?

The market for 2-phenyl-1H-imidazole-4-carboxylic acid is growing due to its use in pharmaceuticals, especially in antifungal and anti-inflammatory drug development. Research trends are focusing on its potential as a bioactive compound and its application in novel drug formulations.

How should waste containing 2-phenyl-1H-imidazole-4-carboxylic acid (CAS: 77498-98-7) be handled?

Waste containing 2-phenyl-1H-imidazole-4-carboxylic acid should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, and environmental protection measures should be strictly followed to minimize environmental impact. Compliance with local regulations is essential.