4-Chloro-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

84547-87-5

Molecular Formula

C4H3ClN2O2

Molecular Weight

146.53 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

255-260 °C

Boiling Point

389.8°C at 760 mmHg

Density

1.714±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

189.5°C

Refractive Index

1.635

SMILES

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

InChI

InChI=1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)

InChIKey

ZOLUACWHRMUETA-UHFFFAOYSA-N

LogP

0.7612999999999999

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

130

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

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

Synonyms & References

English

4-Chloro-1H-pyrazole-3-carboxylic acid
4-CHLORO-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-chloro-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)
4-Chloro-3-pyrazolecarboxylic acid
4-chloro-2H-pyrazole-3-carboxylic acid
1H-Pyrazole-3-carboxylic acid, 4-chloro-
ZOLUACWHRMUETA-UHFFFAOYSA-N
4-chloropyrazole-3-carboxylic acid
4-chloropyrazolecarboxylic
STK301290
SBB000096
BBL015799
4-chloro-1H-pyrazole-3-carboxylicacid
AK-
4-chloro-1H-pyrazole-3-carboxylic acid

MDL Number

MFCD00466338

FAQ

What is 4-Chloro-1H-pyrazole-3-carboxylic acid (CAS: 84547-87-5)?

4-Chloro-1H-pyrazole-3-carboxylic acid is a chemical compound with the CAS number 84547-87-5. It is a white to off-white powder with a molecular formula of C5H4ClNO2 and a molecular weight of 143.56 g/mol. This compound is known for its acidic properties and is used in various applications including pharmaceuticals, research, and as an intermediate in the synthesis of other chemicals.

What are the main uses of 4-Chloro-1H-pyrazole-3-carboxylic acid (CAS: 84547-87-5)?

4-Chloro-1H-pyrazole-3-carboxylic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of drug candidates. It also serves as a research tool for studying pyrazole derivatives and their biological activities. Additionally, it can be used in the synthesis of novel materials and as an intermediate in organic synthesis.

Is 4-Chloro-1H-pyrazole-3-carboxylic acid (CAS: 84547-87-5) safe?

4-Chloro-1H-pyrazole-3-carboxylic acid is generally safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing gloves and protective eyewear. Exposure to high temperatures or direct sunlight should be avoided to prevent thermal decomposition. Always consult safety data sheets for detailed information.

How should 4-Chloro-1H-pyrazole-3-carboxylic acid (CAS: 84547-87-5) be stored?

4-Chloro-1H-pyrazole-3-carboxylic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a tightly closed container to prevent moisture absorption. The storage temperature should not exceed 25°C (77°F) to maintain stability and prevent degradation. Proper ventilation is also essential to avoid the accumulation of flammable or toxic gases.