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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
Beilstein:
2043132
EC Number:
207-269-5
MDL number:
MFCD00040832
UNSPSC Code:
12352100
PubChem Substance ID:
24860454
NACRES:
NA.22

Key Documents

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vapor pressure

41.3 mmHg ( 25 °C)

Quality Level

100

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

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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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6466
STBL0165
STBJ0153
STBF5607V
STBF1647V

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Chemistry in hydrogen fluoride. 7. A novel synthesis of aryl trifluoromethyl ethers.
Feiring AE.
The Journal of Organic Chemistry, 44(16), 2907-2910 (1979)
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)

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