3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

129768-28-1

Molecular Formula

C5H3F3N2O2

Molecular Weight

180.08 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

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Flash Point

168℃

SMILES

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C1=C(NN=C1C(=O)O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)

InChIKey

CIVNBJPTGRMGRS-UHFFFAOYSA-N

LogP

1.1266999999999998

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

194

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A853764
FT-0691942
1H-Pyrazole-5-carboxylic acid, 3-(trifluoromethyl)-
MFCD03074352
129768-28-1
CS-0042230
5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid
AM91689
EN300-83633
Z1998636600
3-Trifluoromethyl-1H-pyrazole-5-carboxylic acid
J-005713
3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (IN-E8S72)
5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR
1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-
SY014176
J-516435
3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid
5-Trifluoromethylpyrazole-3-carboxylic acid
AB13065
5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid
5-(TRIFLUOROMETHYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
F8889-0856
DTXSID10400653
5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid, AldrichCPR
AKOS000308403
SCHEMBL1498674
KD-0237
NS00120699

MDL Number

MFCD03094951

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS: 129768-28-1)?

3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid is a crystalline solid with a molecular weight of approximately 249.11 g/mol. It is poorly soluble in water but has good solubility in organic solvents. The compound shows moderate acidity and is prone to nucleophilic substitution reactions. It is stable under normal conditions but may react with strong bases or reducing agents.

How is 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS: 129768-28-1) typically synthesized?

3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid can be synthesized via the condensation of trifluoromethylated pyrazoles with carboxylic acids. Common methods involve using acyl chlorides or acid anhydrides as precursors. The reaction often requires a Lewis acid catalyst and is conducted in anhydrous conditions to improve yield and selectivity.

What industries use 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS: 129768-28-1)?

3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid is utilized in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a precursor for functionalized polymers. Additionally, it is explored in the sensors and semiconductors sectors for its unique electronic properties.

What precautions should be taken when handling 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS: 129768-28-1)?

When handling 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid, it is essential to use personal protective equipment such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from strong acids and bases. In case of spill, ensure proper ventilation and collect the spill using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed instructions.