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Merck
CN

337064

(Trifluoromethoxy)benzene

99%

Synonym(s):

α,α,α-Trifluoroanisole, Phenyl trifluoromethyl ether

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About This Item

Linear Formula:
C6H5OCF3
CAS Number:
456-55-3
Molecular Weight:
162.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24860454
EC Number:
207-269-5
Beilstein/REAXYS Number:
2043132
MDL number:
MFCD00040832
Assay:
99%
Form:
liquid

Key Documents

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InChI key

GQHWSLKNULCZGI-UHFFFAOYSA-N

InChI

1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

SMILES string

FC(F)(F)Oc1ccccc1

vapor pressure

41.3 mmHg ( 25 °C)

assay

99%

form

liquid

Quality Level

100

bp

102 °C (lit.)

density

1.226 g/mL at 25 °C (lit.)

functional group

fluoro, phenoxy

Related Categories

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
GHS02,GHS07

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

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB7178
SDBB6466
STBL0165
STBJ0153
STBF5607V

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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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