Пентафторбензиловый спирт

Description

Pentafluorobenzyl alcohol ((2,3,4,5,6-pentafluorophenyl)methanol) is a primary organofluorine alcohol of the formula C7H3F5O, a low-melting solid. The hydroxyl group is available for common transformations of alcohols: esterification, oxidation, substitution with halogen, and the formation of ethers. The perfluorinated aromatic ring gives the molecule and its derivatives low surface energy, oxidation stability, and high electron affinity. The industrial production route is the reduction of pentafluorobenzaldehyde; a variant with isopropanol at 82 °C in the presence of a catalyst and a solution of potassium hydroxide at boiling point is described. In the supplier's catalog, the product is classified as pesticide intermediates.

Basic Attributes

• CAS No.: 440-60-8
• Chemical formula: C7H3F5O
• Molecular Weight: 198.09
• Exact weight: 198.09
• BRN number: 2052669
• EU number: 207-126-7
• UNII: FYY8AJK1SP
• NSC Number: 97003
• DSSTox ID: DTXSID00196013
• RTECS number: DP0695000
• HS code: 29062900
• PSA specifications: 20.2
• XLogP3: 1.5
• Synonyms: 2,3,4,5,6-Pentafluorobenzyl alcohol; (pentafluorophenyl)methanol; (Hydroxymethyl)pentafluorobenzene; (Perfluorophenyl)methanol; NSC 97003

Physico-chemical properties

• Density: 1.6 ± 0.1 g/cm³
• Melting point: 37.5 °C
• Boiling point: 114.5 °C
• Flash point: 190°F (about 88°C)
• Refractive index: 1.439

Scope of application

• An intermediate product in the synthesis of biologically active substances: the perfluorophenyl fragment acts as a bioisosteric replacement for the usual aromatic ring and changes the pharmacokinetic properties of the molecule, therefore alcohol is used in the development of medicinal and agrochemical substances
• Raw materials for the production of pentafluorobenzyl halides and other derivatives with a pentafluorobenzyl group
• Analytical chemistry: derivatizing agent for the determination of alcohols and amines
• Materials: component for the synthesis of fluorinated polymers and coatings with increased thermal stability and chemical resistance
• Synthesis of phthalocyanines with pentafluorobenzyloxy substituents, including metal-free forms

Safety Information

• Hazard category: irritant
• Transport codes: NONH for all modes of transport - the substance is not classified as dangerous goods
• WGK Germany: 3
• Hazard class code: 22-36/37/38 - harmful if swallowed, irritating to eyes, respiratory tract and skin
• Safety instructions: 36-36/37/39-26-22-24/25
• Tags: Xn, Xi
• Hazard Note: Irritant
• Hazard Statements: H302 - Harmful if swallowed
• Precautions: P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Storage and handling

Storage conditions according to the card: temperature below +30 °C. The product melts at 37.5 °C, so in a warm room it turns into a liquid state - this does not affect the quality, but it makes dosing difficult. Keep the container tightly closed, in a cool, dry place, away from strong oxidizing agents. The main route of exposure is ingestion (H302), so do not eat during handling and follow instructions 22 (do not inhale dust) and 24/25 (avoid contact with skin and eyes). Protective equipment: gloves, safety glasses, fume hood. Water hazard class WGK 3: do not pour residues and rinsing water into the sewer system, hand over the waste to a licensed operator.