1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid

Basic Information

View in Editor

CAS Number

1125-29-7

Molecular Formula

C7H10N2O2

Molecular Weight

154.17 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

Basic Physical Properties

Melting Point

215-217°C

SMILES

View in Editor

CC1=C(C(=NN1C)C)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)

InChIKey

NOIOGQJFLIPRBI-UHFFFAOYSA-N

LogP

0.7351399999999999

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

172

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

trimethyl-1H-pyrazole-4-carboxylic acid
SCHEMBL1335845
SB30756
EN300-25595
CS-W013289
AKOS000263895
Cambridge id 5264152
MFCD00159648
VU0404127-2
BB 0219207
2R-0605
1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid
NOIOGQJFLIPRBI-UHFFFAOYSA-N
SDCCGMLS-0064499.P001
A802594
1,3,5-trimethylpyrazole-4-carboxylic acid
F2169-0533
1H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl-
AC-7734
1125-29-7
SY064142
1,3,5-trimethyl-4-pyrazolecarboxylic acid
4-carboxy-1,3,5-trimethyl-1H-pyrazole
DTXSID60353049
AM20080076
FT-0606518
1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid
ART-CHEM-BB B006363
AKOS B006363
AKOS PAO-0337
RARECHEM AL BE 0403

MDL Number

MFCD00159648

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid (CAS: 1125-29-7)?

1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid is a white crystalline solid with a molecular weight of approximately 208.21 g/mol. It is moderately soluble in water and ethanol. It is moderately reactive, forming amides and esters readily. It is used in various chemical syntheses and as a starting material in pharmaceutical and polymer industries.

How is 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid (CAS: 1125-29-7) typically synthesized?

1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid is synthesized by various methods, including Hofmann degradation of 1,3,5-trimethylpyrazine. Commonly, it involves the use of strong acids like sulfuric acid, with high yields and good selectivity. The reaction is typically carried out in a fume hood for safety reasons.

What industries use 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid (CAS: 1125-29-7)?

1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid is widely used in pharmaceuticals, where it serves as a precursor for drug development. It is also utilized in the synthesis of polymers and as a component in sensor technology. Additionally, it finds applications in the semiconductor industry for its structural and reactivity properties.

What precautions should be taken when handling 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid (CAS: 1125-29-7)?

When handling 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid (CAS: 1125-29-7), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and protective clothing. The compound should be stored in a cool, dry place and handled in a fume hood to minimize exposure. In case of a spill, consult the Safety Data Sheet (SDS) for specific guidelines on cleanup procedures.