1-Methyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

16034-46-1

Molecular Formula

C5H6N2O2

Molecular Weight

126.11 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

220-225 °C

Flash Point

139.4℃

SMILES

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CN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,9)

InChIKey

JREJQAWGQCMSIY-UHFFFAOYSA-N

LogP

0.1182999999999999

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

126

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD00464253
AKOS000301200
CHEBI:74737
PB26026
SY005770
EN300-31077
1-Methyl-1H-pyrazole-5-carboxylicacid
DTXSID50349118
1-Methyl-1H-pyrazole-5-carboxylic acid, 97%
2-methylpyrazole-3-carboxylic acid
1-methyl-1H-pyrazole-5-carboxylic acid
1-METHYL-5-PYRAZOLECARBOXYLIC ACID
2H-Pyrazole-3-carboxylic acid, 2-methyl-
1-methyl-1H-pyrazole-5-carboxylic acid;1-Methylpyrazole-5-carboxylic Acid
1-methylpyrazole-5-carboxylic acid
CHEMBL2287221
1-methyl-pyrazole-5-carboxylic acid
16034-46-1
Z275167524
M2494
AM20080432
SCHEMBL262323
CS-D1713
HY-34505
1H-pyrazole-5-carboxylic acid, 1-methyl-
FT-0601808
InChI=1/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,9
Q27144865
1-methyl-1H-pyrazol-5-carboxylic acid
AC-7334
5-Carboxy-1-methyl-1H-pyrazole

MDL Number

MFCD00464253

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 1-Methyl-1H-pyrazole-5-carboxylic acid (CAS: 16034-46-1)?

1-Methyl-1H-pyrazole-5-carboxylic acid is a white crystalline solid with a molecular weight of approximately 143.14 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and ethanol. Chemically, it is a weak acid and can undergo esterification and amidation reactions. It is also prone to hydrolysis under basic conditions.

How is 1-Methyl-1H-pyrazole-5-carboxylic acid (CAS: 16034-46-1) typically synthesized?

1-Methyl-1H-pyrazole-5-carboxylic acid can be synthesized via amidation of 1-methylpyrazole with an appropriate carboxylic acid chloride or anhydride. Commonly, triethylamine is used as a base, and the reaction is typically performed in anhydrous organic solvents. The yield is usually around 70-80%, and the purity can be enhanced through recrystallization.

What industries use 1-Methyl-1H-pyrazole-5-carboxylic acid (CAS: 16034-46-1)?

1-Methyl-1H-pyrazole-5-carboxylic acid is used in pharmaceuticals for the synthesis of certain drugs, as a precursor in polymer synthesis for developing smart materials, and in the production of sensors for detecting specific analytes. It also finds applications in the semiconductor industry as a dopant.

What precautions should be taken when handling 1-Methyl-1H-pyrazole-5-carboxylic acid (CAS: 16034-46-1)?

When handling 1-Methyl-1H-pyrazole-5-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up using absorbent materials and the area should be flushed with water. Always refer to the safety data sheet (SDS) for detailed handling procedures and emergency response guidelines.