1H-Pyrazole-3-carboxylic acid

Basic Information

View in Editor

CAS Number

1621-91-6

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

204-213 °C

Boiling Point

417.1℃ at 760 mmHg

Density

1.524

Flash Point

206.1℃

Refractive Index

1.616

SMILES

View in Editor

C1=C(NN=C1)C(=O)O

InChI

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

InChIKey

KOPFEFZSAMLEHK-UHFFFAOYSA-N

LogP

0.10789999999999988

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

104

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

C4H4N2O2
P1862
NCGC00246284-01
pyrazolecarboxylic acid
1H-Pyrazole-5-carboxylicacid
1621-91-6
AB00698081-05
W-205899
F3250-0675
2-N-BOC-2-AMINOMETHYL-3-(4-BROMO-PHENYL)-PROPIONICACID
1-H-pyrazole-3-carboxylic acid
BCP9000066
1H-pyrazole-3-carboxylic acid;PYRAZOLE-3-CARBOXYLIC ACID
BB 0219085
1H-Pyrazole-5-carboxylic acid
1H-Pyrazole-5-carboxylic acid #
A849060
SY002921
1H-Pyrazole-3-carboxylic acid
DTXSID40871438
A3606
BB 0265903
pyrazole 3-carboxylic acid
AB00698081-04
5-Pyrazolecarboxylic acid
pyrazole-5-carboxylic
Pyrazole-3-carboxylic acid
CS-10742
InChI=1/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8
CHEMBL128679
PB17100

MDL Number

MFCD00077436

Customs Code

29331990

FAQ

What are the physical and chemical properties of 1H-Pyrazole-3-carboxylic acid (CAS: 1621-91-6)?

1H-Pyrazole-3-carboxylic acid is a white crystalline solid with a molecular weight of approximately 132.13 g/mol. It is slightly soluble in water and ethanol. Chemically, it is a weak acid and can react with bases to form salts. It is also prone to hydrolysis under basic conditions and may undergo ring-opening reactions under certain conditions.

How is 1H-Pyrazole-3-carboxylic acid (CAS: 1621-91-6) typically synthesized?

1H-Pyrazole-3-carboxylic acid can be synthesized by the condensation of 3-formylpyrazole with a carboxylic acid anhydride, followed by hydrolysis. Alternatively, it can be prepared by the reaction of pyrazole with a carboxylating agent such as carbon dioxide or a carboxylic acid chloride. The yield and selectivity can be improved using appropriate catalysts and reaction conditions.

What industries use 1H-Pyrazole-3-carboxylic acid (CAS: 1621-91-6)?

1H-Pyrazole-3-carboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for preparing polyamides and other polymers. It also finds applications in the preparation of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 1H-Pyrazole-3-carboxylic acid (CAS: 1621-91-6)?

When handling 1H-Pyrazole-3-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be carefully cleaned up using appropriate methods, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.