Description

2-Chloro-5-fluorotoluene (CAS No. 33406-96-1) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆ClF. This specialized chemical is widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research due to its unique reactivity as a fluorinated and chlorinated toluene derivative. Available in >98% purity (GC), our product undergoes rigorous QC testing including GC-MS, NMR, and HPLC to ensure batch-to-batch consistency for critical applications. The compound features a clear, colorless to pale yellow liquid appearance with a characteristic aromatic odor, stored under nitrogen in amber glass bottles to prevent degradation. Technical specifications include: molecular weight 144.57 g/mol, density ~1.18 g/cm³, boiling point 175-177°C, and flash point 62°C (closed cup). SDS and COA documentation provided with every shipment.

Properties

• CAS Number: 33406-96-1
• Complexity: 94.9
• IUPAC Name: 1-chloro-4-fluoro-2-methyl-benzene
• InChI: InChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
• InChI Key: NIOGDCDTKPQEAT-UHFFFAOYSA-N
• Exact Mass: 144.0142060
• Molecular Formula: C7H6ClF
• Molecular Weight: 144.57
• SMILES: CC1=C(C=CC(=C1)F)Cl
• Monoisotopic Mass: 144.0142060
• Synonyms: 2-Chloro-5-fluorotoluene, 33406-96-1, 1-chloro-4-fluoro-2-methylbenzene, EINECS 251-508-6, DTXSID10187053, DTXCID20109544, 251-508-6, MFCD00040853, Benzene, 1-chloro-4-fluoro-2-methyl-, 3-fluoro-6-chlorotoluene, SCHEMBL343371, SCHEMBL600882, SCHEMBL687350, SCHEMBL2341584, SCHEMBL2347578, SBB086375, AKOS005255218, CS-W013314, AC-13800, PS-11942, DB-023906, NS00054625, EN300-153406, F11232, F0001-0985

2-Chloro-5-fluorotoluene serves as a key building block in Suzuki coupling reactions for pharmaceutical API synthesis. It demonstrates particular utility in creating fluorinated analogs of drug candidates for improved metabolic stability. The compound’s dual halogen functionality enables selective derivatization in agrochemical production, notably for novel pesticides. Researchers employ it as a precursor in liquid crystal materials and OLED intermediates due to its electronic effects.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): 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 (87.5%)
• Eye Irrit. 2 (87.5%)
• STOT SE 3 (75%)

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