5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Basic Information

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CAS Number

1202993-11-0

Molecular Formula

C6H5ClF2N2O2

Molecular Weight

210.57 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

318.6±42.0°C at 760 mmHg

SMILES

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CN1C(=C(C(=N1)C(F)F)C(=O)O)Cl

InChI

InChI=1S/C6H5ClF2N2O2/c1-11-4(7)2(6(12)13)3(10-11)5(8)9/h5H,1H3,(H,12,13)

InChIKey

VXTQDSCLSCPLPV-UHFFFAOYSA-N

LogP

1.7093

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

217

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid
5-Chloro-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic Acid
VXTQDSCLSCPLPV-UHFFFAOYSA-N
PubChem16990
AK476944
5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
SCHEMBL437373
DTXSID80599563
1202993-11-0
5-CHLORO-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
AKOS012176270
SB85538
SY068225
DB-129314
MFCD12827693
5-CHLORO-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
DS-18889
CS-0061725
F17321
A925572
AMY11970

MDL Number

MFCD12827693

FAQ

What is 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0)?

5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0) is an organic compound with the molecular formula C6H5ClF2N2O2. It is a derivative of pyrazole with chloro, difluoromethyl, and methyl substituents. This compound is primarily used in pharmaceutical research and development due to its potential biological activities.

What are the main uses of 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0)?

5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0) is mainly used in pharmaceutical research for its potential as a medicinal compound. It may also have applications in organic synthesis and as a precursor for other chemical intermediates.

Is 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0) safe?

5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0) is generally safe when handled with proper precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment and working in a well-ventilated area to avoid inhalation or skin contact. Storage and disposal should be in compliance with local regulations.

How should 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0) be stored?

5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 1202993-11-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. It is recommended to store it at room temperature (15-25°C) and protect it from humidity and light exposure to ensure its stability and safety.