1H-Pyrazole-4-carboxylic acid

Basic Information

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CAS Number

37718-11-9

Molecular Formula

C4H4N2O2

Molecular Weight

112.09 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

Physical State

White to Yellow Solid

Melting Point

275°C(dec.)

Boiling Point

417.1°C at 760 mmHg

Density

1.524

Flash Point

206.1℃

Refractive Index

1.616

SMILES

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C1=C(C=NN1)C(=O)O

InChI

InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)

InChIKey

IMBBXSASDSZJSX-UHFFFAOYSA-N

LogP

0.1079

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

104

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EN300-41863
CHEMBL3544508
1H-Pyrazole-4-carboxylic acid
F8889-7288
P1978
AM20100007
1H-pyrazol-4-carboxylic acid
37718-11-9
Pyrazole-4-carboxylic Acid
AKOS000167971
EINECS 253-641-5
4-CARBOXYPYRAZOLE
BB 0240464
CS-W002065
DTXSID10191150
SCHEMBL29864
pyrazole-4-carboxylic
CHEBI:173370
PB30547
AC-26698
Q27260642
Z275128380
A6437
PS-4787
Pyrazole -4-carboxylic acid
BP-11341
PD158231
4-Pyrazolecarboxylic acid
4-pyrazole carboxylic acid
4XJZ84GV8E
HY-W002065

MDL Number

MFCD00011558

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 1H-Pyrazole-4-carboxylic acid (CAS: 37718-11-9)?

1H-Pyrazole-4-carboxylic acid is a white to off-white crystalline solid with a molecular weight of approximately 131.12 g/mol. It has a pKa of 3.2 and a partition coefficient (log P) of -0.5, indicating a slightly acidic nature and moderate lipophilicity. The compound is slightly soluble in water and ethanol but soluble in organic solvents like dichloromethane and acetone. It demonstrates reactivity towards nucleophiles and can undergo condensation reactions and amide formations.

How is 1H-Pyrazole-4-carboxylic acid (CAS: 37718-11-9) typically synthesized?

1H-Pyrazole-4-carboxylic acid can be synthesized via a multi-step route starting from 2-bromo-1H-pyrazole or other precursors. Common methods include the condensation of 2-bromo-1H-pyrazole with carboxylic acids or the reduction of 1H-pyrazole-4-carboxaldehyde. The synthesis often uses conditions such as sodium hydride or sodium borohydride as reducing agents, and the process yields can range from 50% to 75%, depending on the specific reaction conditions and purity of starting materials.

What industries use 1H-Pyrazole-4-carboxylic acid (CAS: 37718-11-9)?

1H-Pyrazole-4-carboxylic acid finds applications in various industries, particularly in pharmaceuticals, where it serves as a precursor for the synthesis of drug candidates. It is also used in the production of polymers and sensors due to its functional groups, which facilitate chemical reactions and interactions. Additionally, it has potential in the semiconductor industry for use in the fabrication of electronic materials.

What precautions should be taken when handling 1H-Pyrazole-4-carboxylic acid (CAS: 37718-11-9)?

When handling 1H-Pyrazole-4-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials and the area should be thoroughly rinsed. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information, and follow all local safety regulations.