Description

2,3,4,5,6-Pentafluorobenzyl Alcohol (CAS No. 440-60-8) is a high-purity fluorinated organic compound with the molecular formula C₇H₃F₅O. Also known as (2,3,4,5,6-Pentafluorophenyl)methanol, this specialty chemical features a benzyl alcohol group substituted with five fluorine atoms, enhancing its reactivity and stability for advanced synthetic applications. It is supplied as a crystalline solid or solution, with exceptional purity (>98%) suitable for research, pharmaceuticals, and material science. Ideal for derivatization, cross-coupling reactions, and as a precursor for fluorinated ligands or catalysts. Store under inert conditions to maintain integrity.

Properties

• CAS Number: 440-60-8
• Complexity: 162
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl)methanol
• InChI: InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
• InChI Key: PGJYYCIOYBZTPU-UHFFFAOYSA-N
• Exact Mass: 198.01040553
• Molecular Formula: C7H3F5O
• Molecular Weight: 198.09
• SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)O
• Topological: 20.2
• Monoisotopic Mass: 198.01040553
• Synonyms: 2,3,4,5,6-Pentafluorobenzyl alcohol, 440-60-8, Pentafluorobenzyl alcohol, (Perfluorophenyl)methanol, (2,3,4,5,6-Pentafluorophenyl)methanol, (Pentafluorophenyl)methanol, Benzenemethanol, 2,3,4,5,6-pentafluoro-, (Hydroxymethyl)pentafluorobenzene, 2,3,4,5,6-Pentafluorobenzenemethanol, FYY8AJK1SP, EINECS 207-126-7, NSC 97003, BRN 2052669, UNII-FYY8AJK1SP, NSC-97003, BENZYL ALCOHOL, 2,3,4,5,6-PENTAFLUORO-, CHEBI:44903, DTXSID00196013, 5FBzOH, DTXCID10118504, Benzenemethanol, 2,3,4,5,6-pentafluoro-(9CI), 207-126-7, pgjyycioybztpu-uhfffaoysa-n, MFCD00004602, 2,3,4,5,6-pentafluorobenzylalcohol, PFB, (2,3,4,5,6-pentafluorophenyl)methan-1-ol, 2,3,4,5,6-Pentafluorobenzylic alcohol, (Hydroxymethyl)pentafluorobenzene; 2,3,4,5,6-Pentafluorobenzyl Alcohol;(Pentafluorophenyl)methanol; Pentafluorobenzyl Alcohol; 2,3,4,5,6-pentafluoro-Benzenemethanol, Maybridge3_000177, SCHEMBL206669, SCHEMBL536295, SCHEMBL16960865, HMS1431I01, NSC97003, BBL011097, CCG-50568, SBB064020, STK802329, AKOS005622588, DB01711, IDI1_011564, AS-14405, PD008483, SY032651, (2,3,4,5,6-pentafluorophenyl)-methanol, (2,3,4,5,6-Pentafluorophenyl)methanol #, DB-001196, CS-0121504, NS00043411, P0849, ST51039911, 2,3,4,5,6-Pentafluorobenzyl alcohol, 98%, EN300-226052, SR-01000639936-1, Q27092878, Z431952398

Application

2,3,4,5,6-Pentafluorobenzyl Alcohol is widely used as a derivatizing agent in GC-MS analysis to enhance detection of polar compounds. It serves as a key intermediate in synthesizing fluorinated pharmaceuticals and agrochemicals due to its electron-withdrawing properties. The compound is also employed in materials science for designing hydrophobic coatings and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (18%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (18%)
• Eye Irrit. 2 (18%)
• STOT SE 3 (10%)

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