Description

2-Chloro-3-fluorotoluene (CAS No. 85089-31-2) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆ClF and IUPAC name 1-chloro-2-fluoro-3-methylbenzene. This specialty chemical is a valuable building block in organic synthesis, particularly in the pharmaceutical and agrochemical industries. The compound features a toluene backbone with strategically positioned chlorine and fluorine substituents, enabling selective reactivity for advanced derivatization. Available in >98% purity (GC), it is supplied as a clear, colorless to pale-yellow liquid with a characteristic aromatic odor. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. Strict GHS labeling applies (H226, H315, H319, H335). Custom synthesis, bulk quantities, and analytical documentation (GC/MS, NMR) are available upon request.

Properties

• CAS Number: 85089-31-2
• Complexity: 94.9
• IUPAC Name: 1-chloro-2-fluoro-3-methyl-benzene
• InChI: InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
• InChI Key: LHPJOUKIBAEPMW-UHFFFAOYSA-N
• Exact Mass: 144.0142060
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.57
• SMILES: CC1=C(C(=CC=C1)Cl)F
• Monoisotopic Mass: 144.0142060
• Synonyms: 3-Chloro-2-fluorotoluene, 1-Chloro-2-fluoro-3-methylbenzene, EINECS 285-407-3, 6C7VU7HAW8, DTXSID10234177, DTXCID10156668, 285-407-3, lhpjoukibaepmw-uhfffaoysa-n, 85089-31-2, 2-fluoro-3-Chlorotoluene, Benzene, 1-chloro-2-fluoro-3-methyl-, MFCD00042115, 1-Chloro-2-fluoro-3-methyl-benzene, a-chloro-o-fluorotoluene, UNII-6C7VU7HAW8, SCHEMBL257262, SCHEMBL489588, SCHEMBL2291930, SCHEMBL2347896, SCHEMBL2351350, SCHEMBL14993218, SBB086373, 1-Chloro-2-fluoro-3-methylbenzene #, AKOS005063423, AC-7436, AS-33170, SY019208, DB-024267, CS-0153690, EN300-3481033

Application

2-Chloro-3-fluorotoluene serves as a key intermediate in the synthesis of fluorinated active pharmaceutical ingredients (APIs), particularly for CNS-targeting drugs. Its unique substitution pattern enables regioselective cross-coupling reactions in palladium-catalyzed transformations. The compound finds utility in developing liquid crystal materials for advanced display technologies due to its dipole moment characteristics. In agrochemical research, it’s employed as a precursor for novel pesticides with improved environmental persistence profiles.

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