2-Chloro-5-nitrobenzoic acid

CAS Number: 2516-96-3

Molecular Formula: C7H4ClNO4

Purity: 2-Chloro 5-nitro benzoic acid 98% purity

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About 2-Chloro-5-nitrobenzoic acid

2-Chloro-5-nitrobenzoic acid (CAS 2516-96-3) is a critical component in the United States API intermediates market, primarily utilized for the synthesis of Mesalamine (Mesalazine) and various anti-inflammatory drugs where a Pharma/API purity of 99% is mandatory to satisfy rigorous FDA and USP quality standards. Benzoic...

2-Chloro-5-nitrobenzoic acid Specifications

CAS Number

2516-96-3

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56 g/mol

IUPAC Name

2-chloro-5-nitrobenzoic acid

Canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI Key

QUEKGYQTRJVEQC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

EINECS Number

219-739-7

MDL Number

MFCD00007294

HSN No

29163190

CAS Number

2516-96-3

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56 g/mol

IUPAC Name

2-chloro-5-nitrobenzoic acid

Canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI Key

QUEKGYQTRJVEQC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

EINECS Number

219-739-7

MDL Number

MFCD00007294

HSN No

29163190

Molecular Weight

201.56 g/mol

Purity

2-Chloro 5-nitro benzoic acid 98% purity

Melting Point

164-168 °C

Boiling Point

356.5±27.0 °C (Predicted)

Freezing point

164-168°C

Flash Point

Not applicable

Density

1.6 g/cm3

pKa

pK1: 2.17 (25°C)

Precise Quality

2516-96-3

PSA

83.1 Å²

logP

Average mass

201.56 g/mol

Monoisotopic mass

200.9828853 Da

Molar mass

201.56 g/mol

Vapour pressure

0.0000189 mmHg

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (71.4%) Skin Irrit. 2 (80.4%)

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 like mesalazine

Dye Intermediate

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

Organic Synthesis Building Block

A functionalized benzoic acid derivative used in academic and industrial research for the development of complex molecules with diverse biological activities.