Description

3,5-Dichlorobenzoic Acid (CAS No. 51-36-5) is a high-purity aromatic carboxylic acid derivative with the molecular formula C₇H₄Cl₂O₂. This white to off-white crystalline powder is widely utilized in organic synthesis, pharmaceutical research, and agrochemical development due to its reactive carboxyl group and stable dichlorinated benzene ring. With a molecular weight of 191.01 g/mol and a melting point of 188-192°C, it offers excellent solubility in organic solvents like ethanol and dimethyl sulfoxide (DMSO). Ideal for nucleophilic substitution reactions, metal-catalyzed cross-coupling, and as a building block for bioactive compounds. Packaged under inert conditions to ensure stability and longevity.

Properties

• CAS Number: 51-36-5
• Complexity: 151
• IUPAC Name: 3,5-dichlorobenzoic acid
• InChI: InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI Key: CXKCZFDUOYMOOP-UHFFFAOYSA-N
• Exact Mass: 189.9588348
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.01
• SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 189.9588348
• Synonyms: 3,5-DICHLOROBENZOIC ACID, 51-36-5, Benzoic acid, 3,5-dichloro-, 3,5-Dichloro-benzoic acid, EINECS 200-092-4, 7BAA7R70GN, BRN 2044776, CCRIS 8611, DTXSID4024981, AI3-27555, DTXCID004981, CHEBI:166846, 4-09-00-01008 (Beilstein Handbook Reference), DICHLOROBENZOIC ACID, 3,5-, 3,5-dichlorosodium benzoate, 200-092-4, MFCD00002494, 3,5-DichlorobenzoicAcid, UNII-7BAA7R70GN, 3 5-dichlorobenzoic acid, SCHEMBL23699, CHEMBL118280, SCHEMBL2170895, SCHEMBL4023263, SCHEMBL6948936, 3,5-Dichlorobenzoic acid, 97%, CS-D1400, HY-Y0601, STR05308, Tox21_200155, BBL011969, SBB056677, STK802684, AKOS000119495, AB00229, AC-2500, FD38253, PS-3241, CAS-51-36-5, NCGC00091834-01, NCGC00091834-02, NCGC00091834-03, NCGC00257709-01, RH-20839, SY001678, DB-022029, D0341, NS00032263, ST50308119, EN300-19910, 3,5-dichlorobenzoic acid;buttpark 457-34;, AB01329951-02, AE-562/43099674, Q27268014, F0001-1332, Z104476064, InChI=1/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Application

3,5-Dichlorobenzoic acid serves as a key intermediate in the synthesis of herbicides, fungicides, and pharmaceutical agents. Its dichlorinated structure enhances reactivity in electrophilic aromatic substitution and carboxyl-group derivatization. Researchers employ it in ligand design for metal-organic frameworks (MOFs) and as a precursor for advanced polymer materials. It is also used in analytical chemistry as a standard for chromatographic methods.

Safety and Hazards

GHS Hazard Statements

• H315 (94.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (94.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (93.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (94.8%)
• Eye Irrit. 2 (94.8%)
• STOT SE 3 (93.1%)

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