Description

1-(Chloromethyl)-2,3-difluorobenzene (CAS No. 446-57-1) is a high-purity aromatic compound with the molecular formula C₇H₅ClF₂. This organofluorine building block features a chloromethyl group at the 1-position and fluorine substituents at the 2- and 3-positions of the benzene ring, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. The compound is supplied as a clear, colorless to pale yellow liquid with ≥95% purity (GC), packaged under inert gas to ensure stability. Its reactive benzylic chloride moiety enables nucleophilic substitutions, while the electron-withdrawing fluorine atoms direct subsequent electrophilic aromatic substitutions. Ideal for Suzuki couplings, Grignard reactions, and heterocycle formation. Store at 2-8°C in a tightly sealed container.

Properties

• CAS Number: 446-57-1
• Complexity: 108
• IUPAC Name: 1-(chloromethyl)-2,3-difluoro-benzene
• InChI: InChI=1S/C7H5ClF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
• InChI Key: OVUKQQRPTLPXTD-UHFFFAOYSA-N
• Exact Mass: 162.0047842
• Molecular Formula: C7H5ClF2
• Molecular Weight: 162.56
• SMILES: C1=CC(=C(C(=C1)F)F)CCl
• Monoisotopic Mass: 162.0047842
• Synonyms: 446-57-1, 2,3-Difluorobenzyl chloride, 1-(Chloromethyl)-2,3-difluorobenzene, Benzene, 1-(chloromethyl)-2,3-difluoro-, MFCD03095320, SCHEMBL1149651, DTXSID00578850, OVUKQQRPTLPXTD-UHFFFAOYSA-N, 1-Chloromethyl-2,3-difluoro-benzene, AKOS009311489, AB13673, AC-9729, 1-(Chloromethyl)-2,3-difluoro-benzene, AS-59021, EN300-330652

Application

This versatile fluorinated benzyl chloride derivative is widely used as a key intermediate in medicinal chemistry for the synthesis of bioactive molecules, particularly kinase inhibitors and CNS-targeting pharmaceuticals. The compound’s orthogonal reactivity allows sequential functionalization of both the chloromethyl group and fluorinated aromatic ring. Researchers employ it in cross-coupling reactions to create biaryl systems common in drug scaffolds. In material science, it serves as a monomer for specialty polymers with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H227 (100%): Combustible liquid [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

Precautionary Statements

• P203, P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Corr. 1B (100%)
• Acute Tox. 3 (100%)
• STOT SE 3 (100%)
• Muta. 2 (100%)
• Carc. 2 (100%)

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