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

Basic Information

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CAS Number

89831-40-3

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 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

276-277 ºC

Density

1.321

SMILES

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CC1=C(NN=C1C(=O)O)C

InChI

InChI=1S/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10)

InChIKey

URZZLPLGTZFNST-UHFFFAOYSA-N

LogP

0.7247399999999999

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

149

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid
4,5-dimethyl-1H-pyrazole-3-carboxylic acid
3,4-dimethylpyrazole-5-carboxylic acid
4,5-dimethyl-2H-pyrazole-3-carboxylic acid
URZZLPLGTZFNST-UHFFFAOYSA-N
SBB083467
4,5-Dimethylpyrazole-3-carboxylic acid
SY031874
AB0027429
W9260
ST24028192
BB 025805
4,5-Dimethyl-1H-pyrazole-3-carboxylic acid (ACI)
Pyrazole-3(or 5)-carboxylic acid, 4,5(or 3,4)-dimethyl- (7CI)
3 pound not4-Dimethyl-1H-pyrazole-5-carboxylic acid
DS-15930
DTXSID40349122
Z1868430510
SB39702
InChI=1/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10
SCHEMBL4631308
CS-W006059
EN300-78483
89831-40-3
AKOS005169787
SCHEMBL15824828
O11128
AKOS022667733
MFCD15143212
J-511217
ALBB-014182

MDL Number

MFCD15143212

FAQ

What is 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3)?

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3) is an organic compound with the molecular formula C7H9NO2. It is a white solid with a distinctive odor. It is soluble in water and has a melting point of 187-188°C.

What are the main uses of 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3)?

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3) is primarily used in the pharmaceutical industry as a precursor in drug synthesis. It also finds applications in organic synthesis and as a research reagent.

Is 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3) safe?

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3) is generally considered safe when handled with proper precautions. It is important to wear appropriate personal protective equipment, such as gloves and safety goggles, and avoid contact with skin and eyes. Ensure proper ventilation during use.

How should 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3) be stored?

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS: 89831-40-3) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) and avoid temperatures below freezing or above 30°C.