Description

3,4-Dichlorophenol (CAS No. 95-77-2) is a chlorinated aromatic compound with the molecular formula C₆H₄Cl₂O. This high-purity chemical is widely utilized in organic synthesis, agrochemical production, and pharmaceutical research due to its versatile reactivity as a phenol derivative. The compound appears as white to light brown crystalline solid with a characteristic phenolic odor, and it is soluble in organic solvents such as ethanol, ether, and benzene. With a molecular weight of 163.00 g/mol, it is an essential intermediate for synthesizing herbicides, fungicides, and other specialty chemicals. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in secure, chemically resistant packaging to maintain stability and shelf life. Ideal for laboratory and industrial applications requiring precise chlorophenol chemistry.

Properties

• CAS Number: 95-77-2
• Complexity: 97.1
• IUPAC Name: 3,4-dichlorophenol
• InChI: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
• InChI Key: WDNBURPWRNALGP-UHFFFAOYSA-N
• LogP: log Kow = 3.33
• Exact Mass: 161.9639201
• Molecular Formula: C6H4Cl2O
• Molecular Weight: 163.00
• SMILES: C1=CC(=C(C=C1O)Cl)Cl
• Topological: 20.2
• Monoisotopic Mass: 161.9639201
• Physical Description: 3,4-dichlorophenol appears as needles or light brown and yellow crystals. Odor threshold 100 micrograms/liter. Taste threshold 0.3 micrograms/liter in water.
• Color/Form: Needles from benzene-petroleum ether
• Taste: Taste threshold in water: 0.3 ug/l
• Boiling Point: 488.3 °F at 767 mmHg
• Melting Point: 151 to 154 °F
• Solubility: less than 1 mg/mL at 68 °F
• Vapor Pressure: 0.01 [mmHg]
• Odor Threshold: In water: 100 ug/l
• Dissociation Constants: pKa = 8.63
• Synonyms: 3,4-DICHLOROPHENOL, 95-77-2, Phenol, 3,4-dichloro-, 4,5-Dichlorophenol, CCRIS 5904, HSDB 4247, UNII-070FTM6DVF, EINECS 202-450-5, 070FTM6DVF, NSC 60648, BRN 1907693, DTXSID7025005, NSC-60648, DICHLOROPHENOL, 3,4-, DTXCID505005, 3,4-DICHLOROPHENOL [HSDB], 4-06-00-00952 (Beilstein Handbook Reference), 3,4-DCP, 4,5Dichlorophenol, Phenol, 3,4dichloro, 3,4DCP, 202-450-5, dichlorometaxylenol, inchi=1/c6h4cl2o/c7-5-2-1-4(9)3-6(5)8/h1-3,9, un2020, wdnburpwrnalgp-uhfffaoysa-n, CHEBI:34323, MFCD00002258, Phenol, 3,4-dichloro-; 3,4-Dichlorophenol; 4,5-Dichlorophenol; NSC 60648, 3,4dichlorophenol, 3,4 dichlorophenol, 3, 4-dichlorophenol, 3,4-dichloro phenol, 3,4-Dichloro-phenol, 3,4-Dichlorophenol, 99%, MLS002454371, BIDD:ER0233, SCHEMBL224868, SCHEMBL330756, SCHEMBL6055748, SCHEMBL9732755, CHEMBL1549385, SCHEMBL20142984, SCHEMBL28787194, HMS3039D07, NSC60648, STR01808, Tox21_200675, SBB058866, AKOS000119482, PS-3014, CAS-95-77-2, NCGC00091625-01, NCGC00091625-02, NCGC00258229-01, AC-16396, SMR001371993, DB-021867, D0395, NS00009988, ST50824840, 3,4-Dichlorophenol 10 microg/mL in Methanol, EN300-20332, 3,4-Dichlorophenol 100 microg/mL in Methanol, A15983, A928213, 3,4-Dichlorophenol, PESTANAL(R), analytical standard, Q27115989, F0001-2280, Z104477762, 5JD

Application

3,4-Dichlorophenol serves as a key intermediate in the synthesis of agrochemicals, including herbicides and fungicides. It is also employed in pharmaceutical research for developing antimicrobial agents and other bioactive compounds. Additionally, this compound finds use in organic synthesis as a building block for more complex chlorinated aromatic structures. Its reactivity makes it valuable in polymer chemistry and dye manufacturing. Proper handling and storage are required due to its toxicity and potential environmental impact.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]
• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P264, P270, P273, P301+P317, P308+P316, P330, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (89.3%)
• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (96.4%)
• Eye Dam. 1 (71.4%)
• Eye Irrit. 2 (25%)
• STOT SE 3 (12.5%)
• Aquatic Chronic 2 (12.5%)

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