ChemicalBook--->CAS DataBase List--->1457-59-6

1457-59-6

1457-59-6 Structure

1457-59-6 Structure
IdentificationBack Directory
[Name]

5-methyl-1H-4-carboxylic acid
[CAS]

1457-59-6
[Synonyms]

EINECS 215-944-0
5-methyl-1H-4-carboxylic acid
5-Methylimidazole-4-carboxylic acid
5-Methyl-4-imidazolecarboxylic Acid
5-Methyl-4-imidazolylcarboxylic acid
5-Methyl-1H-imidazole-4-carboxylic acid
1H-imidazole-5-carboxylic acid, 4-methyl-
4(5)-methylimidazole-5(4)-carboxylic acid
5-methyl-1H-imidazole-4-carboxylic acid(SALTDATA: FREE)
[EINECS(EC#)]

215-944-0
[Molecular Formula]

C5H6N2O2
[MDL Number]

MFCD00233368
[MOL File]

1457-59-6.mol
[Molecular Weight]

126.11
Chemical PropertiesBack Directory
[Boiling point ]

458.2±25.0 °C(Predicted)
[density ]

1.404±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.36±0.31(Predicted)
[color ]

Pale Brown to Brown
[Stability:]

Hygroscopic
[InChI]

1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
[InChIKey]

ULHLTDXPKWELHQ-UHFFFAOYSA-N
[SMILES]

Cc1nc[nH]c1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

4-Methyl-1H-imidazole-5-carboxylic Acid is used in preparation of Cyclohexyl Benzamide compounds for treatment of type II diabetes. Also, used in preparation of Triazolylphenyl substituted Amides as apoptosis signal-regulating kinase inhibitors.
[Definition]

ChEBI: An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively.
Spectrum DetailBack Directory
[Spectrum Detail]

5-methyl-1H-4-carboxylic acid(1457-59-6)1HNMR
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