Description

5-Chloro-2-fluorotoluene (CAS No. 452-66-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆ClF and IUPAC name 4-chloro-1-fluoro-2-methylbenzene. This specialty chemical is a valuable intermediate in organic synthesis, characterized by its clear to pale-yellow liquid appearance and distinct aromatic properties. With a molecular weight of 144.57 g/mol, it offers excellent reactivity for electrophilic substitution and cross-coupling reactions. Our product is rigorously tested to meet >98% purity standards (GC) and is supplied in sealed, light-resistant containers under inert gas to ensure stability. Ideal for pharmaceutical, agrochemical, and material science research, this compound is a key building block for fluorinated derivatives and fine chemical synthesis.

Properties

• CAS Number: 452-66-4
• Complexity: 94.9
• IUPAC Name: 4-chloro-1-fluoro-2-methyl-benzene
• InChI: InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
• InChI Key: JOXXHDGUTVUBDL-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: 5-Chloro-2-fluorotoluene, 452-66-4, 4-chloro-1-fluoro-2-methylbenzene, Benzene, 4-chloro-1-fluoro-2-methyl-, AI3-52646, EINECS 207-204-0, DTXSID50196422, DTXCID60118913, 207-204-0, MFCD00018504, 1-Chloro-4-fluoro-3-methylbenzene, 4-chloro-1-fluoro-2-methyl-benzene, 5-Chloro-2-fluoro-toluene, SCHEMBL687763, SCHEMBL935657, SCHEMBL1144496, SCHEMBL1637859, SCHEMBL1810655, JOXXHDGUTVUBDL-UHFFFAOYSA-, 5-Chloro-2-fluorotoluene, 98%, SBB086379, AKOS006223204, CS-W011002, AC-10831, AS-19101, DB-051289, NS00042956, D78191, EN300-1241643, InChI=1/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Application

5-Chloro-2-fluorotoluene serves as a versatile precursor in the synthesis of fluorinated pharmaceuticals and liquid crystal materials. It is particularly valuable in Suzuki-Miyaura coupling reactions to create biaryl structures for drug discovery. The compound’s chlorine and fluorine substituents enable selective functionalization in agrochemical active ingredient development. Researchers also utilize it to engineer advanced polymers with tailored electronic properties.

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.