Description

3,4-Difluorobenzyl Chloride (CAS No. 698-80-6) is a high-purity fluorinated organic compound with the molecular formula C₇H₅ClF₂. This versatile reagent is widely used in pharmaceutical, agrochemical, and materials science research due to its reactive benzyl chloride moiety and difluorinated aromatic ring. The compound is supplied as a clear to pale-yellow liquid with a molecular weight of 162.56 g/mol and a boiling point of approximately 185-187°C. It is packaged under inert gas to ensure stability and is available in various quantities to meet both laboratory-scale and bulk requirements. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for more complex fluorinated compounds.

Properties

• CAS Number: 698-80-6
• Complexity: 108
• IUPAC Name: 4-(chloromethyl)-1,2-difluoro-benzene
• InChI: InChI=1S/C7H5ClF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
• InChI Key: VTGRVYJPIVZZGS-UHFFFAOYSA-N
• Exact Mass: 162.0047842
• Molecular Formula: C7H5ClF2
• Molecular Weight: 162.56
• SMILES: C1=CC(=C(C=C1CCl)F)F
• Monoisotopic Mass: 162.0047842
• Synonyms: 3,4-Difluorobenzyl chloride, 698-80-6, DTXSID20371729, DTXCID30322762, 671-872-3, 4-(chloromethyl)-1,2-difluorobenzene, 3,4-Difluorobenzylchloride, MFCD00236218, BENZENE, 4-(CHLOROMETHYL)-1,2-DIFLUORO-, 4-(chloromethyl)-1,2-difluoro-benzene, 1-(chloromethyl)-3,4-difluorobenzene, SCHEMBL1503157, VTGRVYJPIVZZGS-UHFFFAOYSA-N, CK2035, SBB087651, STL166133, AKOS000262182, AC-26187, AS-15731, DB-021888, A9241, D5117, ST51039991, EN300-80293

Application

3,4-Difluorobenzyl Chloride serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in the development of CNS-active drugs and kinase inhibitors. It is utilized in agrochemical research for creating novel pesticides and herbicides with enhanced activity. The compound’s fluorinated aromatic structure makes it valuable in materials science for developing specialty polymers and liquid crystals with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (12.5%)
• Skin Corr. 1C (100%)
• Eye Dam. 1 (12.5%)

If you are interested or have any questions, please contact us at support@atomfair.com

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