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337064

Sigma-Aldrich

(Trifluoromethoxy)benzene

99%

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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)

assay

99%

form

liquid

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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1 of 4

This Item
107840251186290912
vibrant-m

337064

(Trifluoromethoxy)benzene

vibrant-m

107840

2,2,2-Trifluoroacetophenone

vibrant-m

251186

1,3-Bis(trifluoromethyl)benzene

vibrant-m

290912

1,4-Bis(trifluoromethyl)benzene

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

density

1.226 g/mL at 25 °C (lit.)

density

1.24 g/mL at 25 °C (lit.)

density

1.378 g/mL at 25 °C (lit.)

density

1.381 g/mL at 25 °C (lit.)

form

liquid

form

-

form

liquid

form

-

refractive index

n20/D 1.406 (lit.)

refractive index

n20/D 1.458 (lit.)

refractive index

n20/D 1.379 (lit.)

refractive index

n20/D 1.379 (lit.)

bp

102 °C (lit.)

bp

165-166 °C (lit.), 46-48 °C/14 mmHg (lit.)

bp

116-116.3 °C (lit.)

bp

116 °C (lit.)

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.

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

53.6 °F - closed cup

flash_point_c

12 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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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