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

Basic Information

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CAS Number

5744-59-2

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

170-176 °C

Boiling Point

302.4℃ at 760 mmHg

Density

1.28

Flash Point

136.7℃

Refractive Index

1.575

SMILES

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

InChI

InChI=1S/C6H8N2O2/c1-4-3-5(6(9)10)7-8(4)2/h3H,1-2H3,(H,9,10)

InChIKey

PXRXGHUTKHXUGF-UHFFFAOYSA-N

LogP

0.42671999999999993

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC
1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-
AKOS000266514
HY-W004978
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid
CS-W004978
1,5-Dimethyl-3-pyrazolecarboxylic acid
1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLICACID
MFCD00085040
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid, 97%
F2169-0647
DS-2716
1,5-dimethylpyrazole-3-carboxylic acid
SCHEMBL222289
AB03175
D5759
InChI=1/C6H8N2O2/c1-4-3-5(6(9)10)7-8(4)2/h3H,1-2H3,(H,9,10
FT-0606968
DTXSID40343145
Pyrazole-3-carboxylic acid, 1,5-dimethyl-
EN300-51370
A831443
BB 0253249
PS-3235
J-504021
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid #
1,5-dimethylpyrazole-3-carboxylic acid;1,5-Dimethyl-1H-pyrazole-3-carboxylic acid
SY004171
5744-59-2
AM807073
1,5-DIMETHYLPYRAZOLE-3-CARBOXYLIC ACID

MDL Number

MFCD00085040

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2)?

1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2) falls under the jurisdiction of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous chemicals. In the EU, it is regulated under REACH, and for the US, it must comply with FDA and EPA regulations concerning chemical safety and environmental protection. Additionally, it should be handled in accordance with local and national hazardous material laws.

Are there alternatives to 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2) in synthesis?

While 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2) is a useful compound, alternatives such as other substituted pyrazoles or related carboxylic acids can be considered depending on the specific reaction requirements. Commonly, isomers or analogs like 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid can serve as viable alternatives in synthesis.

What is the market or research trend for 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2)?

The market for 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2) has been growing due to its applications in pharmaceuticals and agrochemicals. Research trends include its use in drug development and as a precursor in organic synthesis. Market demand is expected to increase as it continues to find new uses in various industries.

How should waste containing 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2) be handled?

Waste containing 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (CAS: 5744-59-2) should be collected in appropriate containers and stored separately to prevent contamination. For disposal, it is recommended to incinerate the waste under controlled conditions or use professional waste disposal services. Environmental protection measures should include ensuring no hazardous materials are released into the environment during handling or disposal.