337064

Sigma-Aldrich

(Trifluoromethoxy)benzene

99%

Synonym(s):
α,α,α-Trifluoroanisole, Phenyl trifluoromethyl ether
Linear Formula:
C6H5OCF3
CAS Number:
Molecular Weight:
162.11
Beilstein/REAXYS Number:
2043132
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

41.3 mmHg ( 25 °C)

Quality Level

assay

99%

refractive index

n20/D 1.406 (lit.)

bp

102 °C (lit.)

density

1.226 g/mL at 25 °C (lit.)

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

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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.

Packaging

25 g in glass bottle

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 1993BF 3 / PGII

WGK Germany

WGK 3

Flash Point(F)

53.6 °F - closed cup

Flash Point(C)

12 °C - closed cup

Trifluoromethoxy benzene in the gas phase studied by electron diffraction and spectroscopy supplemented with ab initio calculations.
Shishkov IF, et al.
Journal of Molecular Structure, 567, 339-360 (2001)
Chemistry in hydrogen fluoride. 7. A novel synthesis of aryl trifluoromethyl ethers.
Feiring AE.
The Journal of Organic Chemistry, 44(16), 2907-2910 (1979)

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