Description

4-Chloro-2-fluorotoluene (CAS No. 452-75-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆ClF. This specialty chemical, also known as 4-chloro-2-fluoro-1-methylbenzene, is a valuable intermediate in organic synthesis and pharmaceutical manufacturing. Its unique structure, featuring both chloro and fluoro substituents on the toluene backbone, makes it highly reactive for selective functionalization. Available in >98% purity (GC), this colorless to pale-yellow liquid (density: 1.24 g/cm³, boiling point: 168-170°C) is packaged under inert gas in amber glass bottles to ensure stability. Ideal for cross-coupling reactions, nucleophilic substitutions, and as a building block for agrochemicals and active pharmaceutical ingredients (APIs).

Key applications include: Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, and the synthesis of fluorinated liquid crystals. Technical specifications include: <1% water content, <0.5% non-volatile residue. Compatible with common organic solvents (THF, DMF, DMSO). Store at 2-8°C in a well-ventilated area. MSDS and Certificate of Analysis provided with every order.

Properties

• CAS Number: 452-75-5
• Complexity: 94.9
• IUPAC Name: 4-chloro-2-fluoro-1-methyl-benzene
• InChI: InChI=1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
• InChI Key: MKFCYQTVSDCXAQ-UHFFFAOYSA-N
• Exact Mass: 144.0142060
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.57
• SMILES: CC1=C(C=C(C=C1)Cl)F
• Monoisotopic Mass: 144.0142060
• Synonyms: 4-Chloro-2-fluorotoluene, 452-75-5, 4-Chloro-2-fluoro-1-methylbenzene, EINECS 207-210-3, MKFCYQTVSDCXAQ-UHFFFAOYSA-, DTXSID10196428, DTXCID20118919, 207-210-3, inchi=1/c7h6clf/c1-5-2-3-6(8)4-7(5)9/h2-4h,1h3, mkfcyqtvsdcxaq-uhfffaoysa-n, 2-fluoro-4-chlorotoluene, Benzene, 4-chloro-2-fluoro-1-methyl-, MFCD00000571, 4-chloro-2-fluoro-1-methyl-benzene, SCHEMBL91418, SCHEMBL97244, SCHEMBL160251, SCHEMBL710722, SCHEMBL2342620, SCHEMBL2348463, 4-Chloro-2-fluorotoluene, >=99%, SBB086380, AKOS015850166, AC-7255, CS-W016372, AS-11985, BP-10870, DB-000367, NS00043520, EN300-98594, D77788

Application

4-Chloro-2-fluorotoluene serves as a versatile precursor in pharmaceutical synthesis, particularly for introducing fluorine-containing motifs into drug candidates. It’s widely used in palladium-catalyzed cross-coupling reactions to create biaryl structures common in kinase inhibitors. The compound’s electron-deficient aromatic ring makes it ideal for nucleophilic aromatic substitution reactions in agrochemical production. Researchers also utilize it as a starting material for synthesizing liquid crystals and OLED materials due to its stable fluorinated aromatic core.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): 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 (97.8%): 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 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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