Description

2-Chloro-6-nitrobenzoic acid (CAS No. 5344-49-0) is a high-purity nitro-substituted benzoic acid derivative with the molecular formula C₇H₄ClNO₄. This fine chemical is characterized by its pale yellow crystalline appearance and is widely utilized in organic synthesis and pharmaceutical research. With a molecular weight of 201.56 g/mol, it exhibits excellent reactivity as an intermediate for constructing complex molecules. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers to maintain stability. Ideal for nucleophilic substitution reactions, carboxylation studies, and heterocyclic compound synthesis, this compound is a staple in research laboratories focusing on agrochemicals, dyes, and drug discovery.

Properties

• CAS Number: 5344-49-0
• Complexity: 227
• IUPAC Name: 2-chloro-6-nitro-benzoic acid
• InChI: InChI=1S/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
• InChI Key: JYHOMEFOTKWQPN-UHFFFAOYSA-N
• Exact Mass: 200.9828853
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.56
• SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
• Topological: 83.1
• Monoisotopic Mass: 200.9828853
• Synonyms: 2-Chloro-6-nitrobenzoic acid, 5344-49-0, Benzoic acid, 2-chloro-6-nitro-, AUC5775J4R, NSC-1123, EINECS 226-287-4, DTXSID70201603, NSC 1123, 1-CHLORO-2-CARBOXY-3-NITROBENZENE, DTXCID60124094, 226-287-4, 2-chloro-6-nitro-benzoic acid, 6-Chloro-2-nitrobenzoic acid, MFCD00100425, 2-Chloro-6-nitrobenzoicAcid, NSC1123, UNII-AUC5775J4R, SCHEMBL2071280, 2-Chloro-6-nitrobenzoic acid #, SBB063366, STK665113, AKOS003390766, AC-2723, FC38376, PS-4876, SY002684, 2-Chloro-6-nitrobenzoic acid, AldrichCPR, DB-052334, ST4131032, CS-0044381, NS00032758, EN300-70243, Z277540142

Application

2-Chloro-6-nitrobenzoic acid serves as a key precursor in the synthesis of pharmaceutical intermediates, particularly for nonsteroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. Its reactive nitro and carboxyl groups enable facile functionalization in palladium-catalyzed cross-coupling reactions. Researchers also employ this compound as a building block for developing fluorescent probes and liquid crystal materials due to its conjugated aromatic system.

Safety and Hazards

GHS Hazard Statements

• H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (15.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (86.7%)
• Skin Irrit. 2 (15.6%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (15.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.