337064

(Trifluoromethoxy)benzene

99%

• Synonym(s): α,α,α-Trifluoroanisole, Phenyl trifluoromethyl ether
• Linear Formula: C₆H₅OCF₃
• CAS Number: 456-55-3
• Molecular Weight: 162.11
• Beilstein: 2043132
• EC Number: 207-269-5
• MDL number: MFCD00040832
• UNSPSC Code: 12352100
• PubChem Substance ID: 24860454
• NACRES: NA.22

Properties

• vapor pressure: 41.3 mmHg ( 25 °C)
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.406 (lit.)
• bp: 102 °C (lit.)
• density: 1.226 g/mL at 25 °C (lit.)
• functional group: fluoro; phenoxy
• SMILES string: FC(F)(F)Oc1ccccc1
• InChI: 1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
• InChI key: GQHWSLKNULCZGI-UHFFFAOYSA-N

Description

General description

(Trifluoromethoxy)benzene is an aryl trifluoromethyl ether. (Trifluoromethoxy)benzene can be prepared from 4-chloro-1-(trifluoromethoxy)benzene via hydrogenolysis. Conformation of (trifluoromethoxy)benzene in the gas phase has been studied by electron diffraction and spectroscopy supplemented with ab initio calculations.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H315,H319,H335
• Precautionary Statements: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 53.6 °F - closed cup
• Flash Point(C): 12 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves