Description

3-Chloro-4-fluorotoluene (CAS No. 1513-25-3) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆ClF and IUPAC name 2-chloro-1-fluoro-4-methylbenzene. This colorless to pale yellow liquid (MW: 144.57 g/mol) is a versatile building block in organic synthesis, featuring both chloro and fluoro substituents on a toluene backbone for enhanced reactivity. With a boiling point of ~170-172°C and density of ~1.21 g/cm³, it’s optimized for nucleophilic aromatic substitution reactions. Packaged under inert gas in amber glass bottles to prevent degradation, our ≥98% pure grade is ideal for pharmaceutical intermediates, agrochemicals, and liquid crystal materials. HPLC and GC analysis certificates provided.

Properties

• CAS Number: 1513-25-3
• Complexity: 94.9
• IUPAC Name: 2-chloro-1-fluoro-4-methyl-benzene
• InChI: InChI=1S/C7H6ClF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
• InChI Key: IKNQPNLSEBWZKX-UHFFFAOYSA-N
• Exact Mass: 144.0142060
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.57
• SMILES: CC1=CC(=C(C=C1)F)Cl
• Monoisotopic Mass: 144.0142060
• Synonyms: 3-Chloro-4-fluorotoluene, 1513-25-3, 2-chloro-1-fluoro-4-methylbenzene, DTXSID40371463, DTXCID60322497, 604-795-0, Benzene, 2-chloro-1-fluoro-4-methyl-, MFCD00079730, SCHEMBL95586, SCHEMBL256540, SCHEMBL1144662, SCHEMBL2347502, SCHEMBL2347883, IKNQPNLSEBWZKX-UHFFFAOYSA-N, 1-methyl-3-chloro-4-fluorobenzene, SBB086372, AKOS006223217, AC-7435, 2-chloranyl-1-fluoranyl-4-methyl-benzene, PS-11941, DB-043089, CS-0153330, A809160

Application

3-Chloro-4-fluorotoluene serves as a key precursor in Suzuki coupling reactions for biaryl synthesis in drug discovery. Its electron-deficient aromatic ring facilitates nucleophilic displacement of chlorine in the production of fluorinated liquid crystal monomers. The compound is also employed in synthesizing herbicides and fungicides through selective functionalization of the methyl group. Researchers value its stability as a fluorinated scaffold in PET radiotracer development.

Safety and Hazards

GHS Hazard Statements

• H226 (97.4%): 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 (100%): 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 (97.4%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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