2-4 Dichloro Benzoic Acid

CAS Number: 50-84-0

Molecular Formula: C7H4Cl2O2

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About 2-4 Dichloro Benzoic Acid

2,4-DCBA (CAS 50-84-0) serves as a critical building block in the API intermediates market, notably utilized as a starting reagent for the synthesis of complex quinoline-3-carboxylic acids and other pharmaceutical derivatives. As a leading bulk chemical supplier, we are seeing CDMOs increasingly emphasize the procureme...

2-4 Dichloro Benzoic Acid Specifications

CAS Number

50-84-0

Molecular Formula

C7H4Cl2O2

Molecular Weight

191.01 g/mol

IUPAC Name

2,4-dichlorobenzoic acid

Canonical SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)O

InChI Key

ATCRIUVQKHMXSH-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

EINECS Number

200-067-8

MDL Number

MFCD00002414

HSN No

29163990

CAS Number

50-84-0

Molecular Formula

C7H4Cl2O2

Molecular Weight

191.01 g/mol

IUPAC Name

2,4-dichlorobenzoic acid

Canonical SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)O

InChI Key

ATCRIUVQKHMXSH-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

EINECS Number

200-067-8

MDL Number

MFCD00002414

HSN No

29163990

Molecular Weight

191.01 g/mol

Melting Point

157-160 °C

Boiling Point

200 °C

Freezing point

160-164 °C

Density

1.4410 (rough estimate)

pKa

2.68±0.25

PSA

37.3 Å²

logP

2.8

Average mass

191.01 g/mol

Monoisotopic mass

189.9588348 Da

Molar mass

191.01 g/mol

Vapour pressure

Precautionary Statement Codes

P261, P264, P271, P301+P312, P302+P352, and P305+P351+P338

Hazard Classes and Categories

Acute Tox. 4 Oral, Eye Irrit. 2, Skin Irrit. 2, and STOT SE 3

Pharmaceutical Intermediate

2,4-Dichloro benzoic acid serves as a critical building block in the synthesis of pharmaceuticals, including diuretics like Furosemide and antimycobacterial agents targeting Mycobacterium tuberculosis

Agricultural Chemicals

The compound is utilized as a key intermediate in the production of herbicides and acaricides such as Spirodiclofen, as well as acting as a plant growth regulator

Analytical Chemistry

It is employed as a reference standard and reagent in solid-phase extraction and gas chromatography for the detection of polar acidic herbicides in environmental water samples

Organic Synthesis

This aromatic carboxylic acid is a versatile building block for creating complex molecules, including quinoline-3-carboxylic acids and pyrimido-quinoxaline derivatives.