Description

Methyl 2,4-dichlorobenzoate (CAS No. 35112-28-8) is a high-purity organic compound with the molecular formula C₈H₆Cl₂O₂, widely utilized in pharmaceutical, agrochemical, and material science research. This ester derivative of 2,4-dichlorobenzoic acid exhibits excellent stability and reactivity, making it a valuable intermediate in synthetic chemistry. Available in >98% purity (HPLC), it is supplied in sealed packaging under inert conditions to ensure long-term integrity. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for advanced heterocyclic frameworks. Suitable for lab-scale and industrial applications requiring precise structural modifications.

Properties

• CAS Number: 35112-28-8
• Complexity: 172
• IUPAC Name: methyl 2,4-dichlorobenzoate
• InChI: InChI=1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
• InChI Key: VCRWILYAWSRHBN-UHFFFAOYSA-N
• Exact Mass: 203.9744848
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.03
• SMILES: COC(=O)C1=C(C=C(C=C1)Cl)Cl
• Topological: 26.3
• Monoisotopic Mass: 203.9744848
• Synonyms: Methyl 2,4-dichlorobenzoate, 35112-28-8, EINECS 252-374-1, DTXSID60188611, DTXCID20111102, 252-374-1, Methyl2,4-Dichlorobenzoate, Benzoic acid, 2,4-dichloro-, methyl ester, 2,4-Dichlorobenzoic Acid Methyl Ester, MFCD00085117, METHYL-2,4-DICHLOROBENZOATE, Methyl ester of 2,4-Dichlorobenzoic acid, SCHEMBL608814, Methyl 2,4-dichlorobenzoate #, SCHEMBL6689143, SCHEMBL6971123, SCHEMBL26131125, H6U2F2339F, Methyl 2,4-dichlorobenzoate, 97%, SBB064667, AKOS002723300, FM70192, PS-4659, SY017932, D2855, NS00029775, ST45021433, Q63395370

Application

Methyl 2,4-dichlorobenzoate serves as a key building block in the synthesis of bioactive compounds, including fungicides and herbicides. It is employed in Pd-catalyzed cross-coupling reactions to construct complex aromatic systems. Researchers also utilize it to develop liquid crystal materials and polymer modifiers due to its rigid benzene core and halogen substituents.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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

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