Description

4-Chloro-1-fluoro-2-(trifluoromethyl)benzene (CAS No. 89634-74-2) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃ClF₄. This specialized chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique trifluoromethyl and halogen-substituted benzene structure. The compound is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is rigorously tested to meet stringent quality standards (typically ≥98% purity by GC analysis). Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. This product is particularly valuable as a building block for synthesizing more complex fluorinated compounds, where its reactive chloro and fluoro substituents enable diverse functionalization pathways. Available in quantities from grams to kilograms, it’s packaged in amber glass bottles with secure closures to ensure product integrity during shipping and storage.

Properties

• CAS Number: 89634-74-2
• Complexity: 156
• IUPAC Name: 4-chloro-1-fluoro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
• InChI Key: PFLGDQIWYTWKCM-UHFFFAOYSA-N
• Exact Mass: 197.9859404
• Molecular Formula: C7H3ClF4
• Molecular Weight: 198.54
• SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)F
• Monoisotopic Mass: 197.9859404
• Synonyms: 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene, DTXSID20544916, DTXCID10495701, 5-Chloro-2-fluorobenzotrifluoride, 89634-74-2, 2-fluoro-5-chlorobenzotrifluoride, MFCD00060655, Benzene, 4-chloro-1-fluoro-2-(trifluoromethyl)-, 5-chloro-2-fluoro(trifluoromethyl)benzene, SCHEMBL143916, SCHEMBL657298, SCHEMBL23234066, 5-Chloro-2-fluorobenzotrifluoride,, BBL102210, SBB092363, STL556009, AKOS005255765, FC81071, AS-17250, C3317, CS-0022411, 5-Chloro-2-fluoro(trifluoromethyl)benzene;5-Chloro-2-fluorobenzotrifluoride

Application

This compound serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of fluorine-containing drug candidates where the trifluoromethyl group can enhance metabolic stability and bioavailability. In material science, it’s used to create specialized fluorinated polymers with unique thermal and chemical resistance properties. The compound also finds application in agrochemical research for developing novel pesticides and herbicides with improved environmental profiles.

Safety and Hazards

GHS Hazard Statements

• H226 (85.7%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (85.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (85.7%)

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