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40704-11-8

40704-11-8 Structure

40704-11-8 Structure
IdentificationMore
[Name]

3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
[CAS]

40704-11-8
[Synonyms]

Albb-005391
AKOS PAO-0300
CHEMBRDG-BB 4002205
3-METHYLPYRAZOLE-4-CARBOXYLIC ACID
3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
3-Methyl-2H-pyrazole-4-carboxylic acid
3-Methylpyrazole-4-carboxylic acid 97%
1H-Pyrazole-4-carboxylic acid, 3-methyl-
3-Methyl-1h-pyrazole-4-carboxylic acid 97%
3-Methyl-1H-pyrazole-4-carboxylic acid 3-Methylpyrazole-4-carboxylic acid
[Molecular Formula]

C5H6N2O2
[MDL Number]

MFCD00608153
[Molecular Weight]

126.11
[MOL File]

40704-11-8.mol
Chemical PropertiesBack Directory
[Melting point ]

225-230 °C (dec.) (lit.)
[Boiling point ]

384.2±22.0 °C(Predicted)
[density ]

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

2-8°C(protect from light)
[form ]

solid
[pka]

14.56±0.50(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

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

HLYYXPDTFLUERX-UHFFFAOYSA-N
[SMILES]

N1C=C(C(O)=O)C(C)=N1
[CAS DataBase Reference]

40704-11-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933199090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-Methyl-1h-pyrazole-4-carboxylic Acid is a reactant used in the characterization of MOFs with crystal vacancies introduced by removing quarter of metal ions and half of linkers.
[Definition]

ChEBI: 3-methyl-pyrazole-4-carboxylic acid is a member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a hydride of a 1H-pyrazole.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(40704-11-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

40704-11-8(sigmaaldrich)
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