Description

3,5-Difluorobenzyl alcohol (CAS No. 79538-20-8) is a high-purity fluorinated benzyl alcohol derivative with the molecular formula C₇H₆F₂O. This compound, also known by its IUPAC name (3,5-difluorophenyl)methanol, is a valuable building block in pharmaceutical, agrochemical, and materials science research. Its unique structure, featuring two fluorine atoms at the meta positions of the benzyl ring, enhances its reactivity and utility in nucleophilic substitutions and cross-coupling reactions.

Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Ideal for use in Suzuki-Miyaura couplings, etherifications, and as a precursor for advanced intermediates, this reagent is a must-have for synthetic chemists working on fluorinated compounds.

Key identifiers: DTXSID40335045, DTXCID90286134, EC 632-822-6.

Properties

• CAS Number: 79538-20-8
• Complexity: 97.8
• IUPAC Name: (3,5-difluorophenyl)methanol
• InChI: InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
• InChI Key: LOGIHEKXJKHXEC-UHFFFAOYSA-N
• Exact Mass: 144.03867113
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.12
• SMILES: C1=C(C=C(C=C1F)F)CO
• Topological: 20.2
• Monoisotopic Mass: 144.03867113
• Synonyms: 3,5-Difluorobenzyl alcohol, 79538-20-8, DTXSID40335045, DTXCID90286134, 632-822-6, logihekxjkhxec-uhfffaoysa-n, (3,5-Difluorophenyl)methanol, MFCD00010313, (3,5-difluorophenyl)methan-1-ol, Benzenemethanol, 3,5-difluoro-, SCHEMBL108535, (3,5-difluoro-phenyl)methanol, SCHEMBL1047911, SCHEMBL4122187, SCHEMBL18689227, (3,5-Difluorophenyl)methanol #, SBB064037, AKOS007930898, AC-9739, CS-W016402, PS-8984, SY021813, DB-022053, D2559, ST50306851, EN300-252782, Q27453526

Application

3,5-Difluorobenzyl alcohol serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and CNS-active compounds. Its benzyl alcohol group enables easy conversion to halides or ethers, while the difluoro substitution pattern enhances metabolic stability in drug candidates. Researchers also utilize it to prepare liquid crystals and specialty polymers with tailored dielectric properties.

Safety and Hazards

GHS Hazard Statements

• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (98%)
• Eye Irrit. 2A (98%)
• STOT SE 3 (93.9%)

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