5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

276684-04-9

Molecular Formula

C10H6Cl2N2O2

Molecular Weight

257.08 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C10H6Cl2N2O2/c11-6-2-1-5(3-7(6)12)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)

InChIKey

KTLNOKUDBRHUIV-UHFFFAOYSA-N

LogP

3.0817000000000014

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

278

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

FT-0684397
DTXSID40404689
3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
AM20060452
5-(3,4-Dichloro-phenyl)-1H-pyrazole-3-carboxylic acid
3-(3,4-dichlorophenyl)-pyrazole-5-carboxylic acid
5-(3,4-dichloro-phenyl)-1 h-pyrazole-3-carboxylic acid
AKOS000275841
J-016847
3-(3, 4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
BB 0241012
CS-0122804
5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
SCHEMBL2558820
MFCD03030206
276684-04-9
DS-8957
EN300-83707
AKOS000144648
5-(3,4-Dichloro-phenyl)-2H-pyrazole-3-carbo xylic acid
MFCD04969780
5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid
1H-Pyrazole-3-carboxylicacid, 5-(3,4-dichlorophenyl)-
3-(3,4-Dichlorophenyl)-1H-pyrazole-5-carboxylic acid
5-(3,4-DICHLORO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

MDL Number

MFCD03030206

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid (CAS: 276684-04-9)?

5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid is a white to off-white solid with a molecular weight of 263.04 g/mol. It is poorly soluble in water but soluble in organic solvents like DMSO. The compound is known for its acidity and can form salts with bases. It is stable under normal conditions but reacts with strong reducing agents.

How is 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid (CAS: 276684-04-9) typically synthesized?

5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid is usually synthesized via the condensation of 3,4-dichlorophenyl isocyanate with 1H-pyrazole-3-carboxylic acid hydrazide. The reaction is carried out in an aprotic solvent such as dimethylformamide (DMF) in the presence of a base like triethylamine. The yield is typically around 70-80%.

What industries use 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid (CAS: 276684-04-9)?

5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid finds applications in the pharmaceutical industry due to its potential as an intermediate in drug synthesis. It is also used in the development of sensors and as a component in certain polymer formulations.

What precautions should be taken when handling 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid (CAS: 276684-04-9)?

When handling 5-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions. It is also important to avoid contact with eyes and ingestion.