1-Benzyl-1H-pyrazole-4-carboxylic acid

Basic Information

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CAS Number

401647-24-3

Molecular Formula

C11H10N2O2

Molecular Weight

202.21 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 Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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OC(=O)c1cnn(Cc2ccccc2)c1

InChI

InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)

InChIKey

KGDOHXYALMXHLF-UHFFFAOYSA-N

LogP

1.6296

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

227

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-Benzyl-1H-pyrazole-4-carboxylic acid
1-benzylpyrazole-4-carboxylic acid
1-Benzyl-1H-pyrazol-4-carbonsaeure
1-benzyl-1H-pyrazol-4-carboxylic acid

MDL Number

MFCD05864591

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3)?

1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and must comply with the REACH regulations for substances placed on the EU market. Additionally, it should adhere to FDA and EPA guidelines for chemical handling and disposal in the United States.

Are there alternatives to 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3) in synthesis?

There are several alternatives to 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3) in synthesis, such as other substituted pyrazoles or related heterocycles. Common alternatives include 1-phenyl-1H-pyrazole-4-carboxylic acid and 1-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid, which serve similar functions in various chemical reactions.

What is the market or research trend for 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3)?

The market for 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3) is growing due to its applications in pharmaceutical research and drug development. Research trends indicate increased interest in its potential use as an intermediate in the synthesis of bioactive compounds. The price of the compound has been relatively stable, with demand driven by ongoing pharmaceutical and academic research.

How should waste containing 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3) be handled?

Waste containing 1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS: 401647-24-3) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, it is advisable to use a professional chemical waste disposal service. Environmental protection measures include ensuring that any liquid waste is neutralized before disposal and adhering to local and regional environmental regulations.