2-Chlorobenzoic acid

CAS Number: 118-91-2

Molecular Formula: C7H5ClO2

Purity: 2-Chlorobenzoic acid 98% purity

About 2-Chlorobenzoic acid

2-Chlorobenzoic acid (CAS 118-91-2) is increasingly utilized by North American CDMOs as a specialized building block for the custom synthesis of anti-inflammatory and anti-bacterial pharmaceutical agents, requiring a Pharma/API purity of 99% to meet rigorous FDA quality standards. o-Chlorobenzoic acid has seen a strate...

Synonyms

2-chlorobenzoate
2-chlorobenzoic acid
2-chlorobenzoic acid, copper (2+) salt
2-chlorobenzoic acid, nickel (2+) salt
2-chlorobenzoic acid, potassium salt

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2-Chlorobenzoic acid Specifications

CAS Number

118-91-2

Molecular Formula

C7H5ClO2

Molecular Weight

156.57 g/mol

IUPAC Name

2-chlorobenzoic acid

Canonical SMILES

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

InChI Key

IKCLCGXPQILATA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

HSN No

29163160

CAS Number

118-91-2

Molecular Formula

C7H5ClO2

Molecular Weight

156.57 g/mol

IUPAC Name

2-chlorobenzoic acid

Canonical SMILES

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

InChI Key

IKCLCGXPQILATA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

HSN No

29163160

melting_point

288 °F (NTP, 1992)

boiling_point

Sublimes (NTP, 1992)

solubility

less than 1 mg/mL at 68 °F (NTP, 1992)

density

1.544 at 68 °F (NTP, 1992) - Denser than water; will sink

logP

log Kow= 2.05

Molecular Weight

156.57 g/mol

Purity

2-Chlorobenzoic acid 98% purity

Agrochemical Intermediate

A critical organic intermediate primarily used as a precursor in the synthesis of the selective triketone herbicide mesotrione for weed management in cornfields

Pharmaceutical Intermediate

An important building block utilized in the synthesis of various medicinal compounds and active pharmaceutical ingredients such as chlorpromazine, indomethacin, and diclofenac

Dye Intermediate

A versatile starting material employed in the production of specialized dyes, organic pigments, and color films

Organic Synthesis Building Block

A functionalized benzoic acid derivative used in academic and industrial research for the development of complex molecules, including thioxanthene compounds and anti-inflammatory agents.