827-99-6

Basic information

• Product Name: 3-(Trifluoromethoxy)phenol
• Synonyms: M-(TRIFLUOROMETHOXY)PHENOL;3-(TRIFLUOROMETHOXY)PHENOL;3-HYDROXYPHENYL TRIFLUOROMETHYL ETHER;m-Trifluoromethoxy Phenol 3-Trifluoromethoxy Phenol;3-(Trifluoromethoxy)phenol 98%;3-(Trifluoromethoxy)phenol98%;3-trifluoroMethoxylphenol;3-[(TrifluoroMethyl)oxy]phenol
• CAS NO: 827-99-6
• Molecular Formula: C₇H₅F₃O₂
• Molecular Weight: 178.11
• EINECS: 1592732-453-0
• Product Categories: Trifluoroanisole series;Aromatic Phenols;Organic Building Blocks;Oxygen Compounds;Phenols;Aromatics
• Mol File: 827-99-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 69-70 °C12 mm Hg(lit.)
• Flash Point: 184 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.379 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.651mmHg at 25°C
• Refractive Index: n20/D 1.446(lit.)
• Storage Temp.: Room temperature.
• PKA: 8.83±0.10(Predicted)
• BRN: 1868036
• CAS DataBase Reference: 3-(Trifluoromethoxy)phenol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Trifluoromethoxy)phenol(827-99-6)
• EPA Substance Registry System: 3-(Trifluoromethoxy)phenol(827-99-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39
• RIDADR: 2927
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 827-99-6(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless to yellow liquid

Uses

3-(Trifluoromethoxy)phenol (cas# 827-99-6) is a compound useful in organic synthesis.

InChI:InChI=1/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H

Downstream Products

• 562080-94-8 2-chloro-N-(2-hydroxy-4-trifluoromethoxy-benzyl)-acetamide 

Relevant articles and documents

Continuous-flow synthesis of functionalized phenols by aerobic oxidation of grignard reagents

Phenols are important compounds in chemical industry. An economical and green approach to phenol preparation by the direct oxidation of aryl Grignard reagents using compressed air in continuous gas-liquid segmented flow systems is described. The process tolerates a broad range of functional groups, including oxidation-sensitive functionalities such as alkenes, amines, and thioethers. By integrating a benzyne-mediated in-line generation of arylmagnesium intermediates with the aerobic oxidation, a facile three-step, one-flow process, capable of preparing 2-functionalized phenols in a modular fashion, is established. Putting on airs: Aerobic oxidation of (hetero)aryl Grignard reagents using compressed air proceeds with a gas-liquid continuous-flow system, thus enabling preparation of fucntionalized phenols. By integrating an in-line generation of ArMgBr intermediates with the aerobic oxidation, ortho-functionalized phenols can be assembled. The method demonstrates good functional-group (FG) compatibility, mild reaction conditions, and short reaction times.