1-Methyl-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

25016-20-0

Molecular Formula

C5H6N2O2

Molecular Weight

126.12 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

153.0 to 157.0 deg-C

Boiling Point

306.9℃ at 760 mmHg

Density

1.34

Flash Point

139.4℃

Refractive Index

1.59

SMILES

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

InChI

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

InChIKey

YBFIKNNFQIBIQZ-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

4ERN3JB4ZW
1-Methyl-1H-pyrazole-3-carboxylicacid
EN300-66976
1-methylpyrazole-3-carboxylic acid
CS-D1728
1-Methyl-1H-pyrazole-3-carboxylic acid #
HY-34603
A5089
1-methyl-pyrazole-3-carboxylic acid
BISPHENOLADIACRYLATE
FT-0652186
W-206920
FT-0657764
DTXSID10341451
BB 0237316
SCHEMBL263713
PS-4011
MFCD00464254
M2642
25016-20-0
1H-Pyrazole-3-carboxylic acid, 1-methyl-
AKOS000304127
AM20090287
AC-26268
1-methylpyrazolecarboxylic acid
PB29090
SY005921
BAS 10157042
CHEBI:74738
1-Methyl-1H-pyrazole-3-carboxylic acid
Q27144866

MDL Number

MFCD00464254

Customs Code

2933199090

FAQ

What is 1-Methyl-1H-pyrazole-3-carboxylic acid (CAS: 25016-20-0)?

1-Methyl-1H-pyrazole-3-carboxylic acid is a heterocyclic carboxylic acid with the CAS number 25016-20-0. It consists of a pyrazole ring with a methyl group and a carboxylic acid group attached. This compound is colorless or white crystalline solid with a pungent odor. It is soluble in water and has a melting point of 203-204°C. It is commonly used in pharmaceuticals, research, and as an intermediate in organic synthesis.

What are the main uses of 1-Methyl-1H-pyrazole-3-carboxylic acid (CAS: 25016-20-0)?

1-Methyl-1H-pyrazole-3-carboxylic acid is primarily used as a pharmaceutical intermediate, particularly in the synthesis of antiviral and anticancer drugs. It is also utilized as a research reagent in organic synthesis and as a precursor in the development of new compounds. Additionally, it has potential applications in the food industry as a flavor enhancer and in the cosmetic industry for its antioxidant properties.

Is 1-Methyl-1H-pyrazole-3-carboxylic acid (CAS: 25016-20-0) safe?

1-Methyl-1H-pyrazole-3-carboxylic acid is generally safe when handled properly. However, it is corrosive to skin and eyes, and prolonged exposure may cause irritation. Protective measures include wearing gloves, goggles, and appropriate laboratory clothing. It should be used in a well-ventilated area, and any spills should be cleaned up immediately. Ingestion or inhalation should be avoided, and proper disposal methods should be followed to ensure environmental safety.

How should 1-Methyl-1H-pyrazole-3-carboxylic acid (CAS: 25016-20-0) be stored?

1-Methyl-1H-pyrazole-3-carboxylic acid should be stored in a tightly sealed container to prevent moisture absorption. It should be kept in a cool, dry place away from direct sunlight and heat sources. The storage temperature should not exceed 25°C, and the relative humidity should be maintained below 60%. It is important to avoid exposure to strong acids, bases, and oxidizing agents to prevent degradation or harmful reactions.