ChemicalBook--->CAS DataBase List--->391668-62-5

391668-62-5

391668-62-5 Structure

391668-62-5 Structure
IdentificationBack Directory
[Name]

3-(1H-IMIDAZOL-2-YL)-BENZOIC ACID
[CAS]

391668-62-5
[Synonyms]

3-(1H-IMIDAZOL-2-YL)-BENZOIC ACID
Benzoic acid, 3-(1H-imidazol-2-yl)-
[Molecular Formula]

C10H8N2O2
[MDL Number]

MFCD08668829
[MOL File]

391668-62-5.mol
[Molecular Weight]

188.18
Chemical PropertiesBack Directory
[Boiling point ]

498.5±28.0 °C(Predicted)
[density ]

1.355±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

3.60±0.10(Predicted)
[InChI]

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

MNADQOFGANNAQY-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cccc(c1)-c2ncc[nH]2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
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