Description

2-(Chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene (CAS No. 832113-94-7) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₅ClF₄. This specialized chemical features a chloromethyl group at the 2-position and a trifluoromethyl group at the 1-position of a fluorinated benzene ring, making it a valuable intermediate for advanced organic synthesis. The compound is characterized by its exceptional reactivity, particularly in nucleophilic substitution reactions, and is supplied as a clear, colorless to pale yellow liquid with >95% purity (GC). Suitable for use in pharmaceutical, agrochemical, and materials science research, this product is rigorously tested for quality and consistency. Store under inert atmosphere at 2-8°C to maintain stability.

Properties

• CAS Number: 832113-94-7
• Complexity: 168
• IUPAC Name: 2-(chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H5ClF4/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2
• InChI Key: IGURRQIIIXYJND-UHFFFAOYSA-N
• Exact Mass: 212.0015905
• Molecular Formula: C8H5ClF4
• Molecular Weight: 212.57
• SMILES: C1=CC(=C(C=C1F)CCl)C(F)(F)F
• Monoisotopic Mass: 212.0015905
• Synonyms: 832113-94-7, 2-(chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene, DTXSID70374669, DTXCID50325699, 2-trifluoromethyl-5-fluorobenzyl chloride, 5-Fluoro-2-trifluoromethylbenzyl chloride, Benzene,2-(chloromethyl)-4-fluoro-1-(trifluoromethyl)-, 2-Trifluoromethyl-5-fluorobenzylchloride, MFCD05864292, 2-Chloromethyl-4-fluoro-1-trifluoromethyl- benzene, SCHEMBL938117, SBB094695, AKOS014099090, FS-5042, EN300-1935729

Application

2-(Chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene serves as a key building block in the synthesis of fluorinated pharmaceuticals and bioactive molecules. The compound is particularly useful in the development of CNS-active drugs due to the enhanced blood-brain barrier penetration imparted by its trifluoromethyl group. Researchers also employ this intermediate in the preparation of liquid crystal materials and advanced polymers with unique thermal and chemical resistance properties. Its reactive chloromethyl group enables facile functionalization through cross-coupling reactions or nucleophilic displacement.

Safety and Hazards

GHS Hazard Statements

• H227 (50%): Combustible liquid [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (50%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (50%)
• Skin Corr. 1B (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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