(Trifluoromethoxy)benzene

Name: (Trifluoromethoxy)benzene
Brand: ALDRICH
Price: 75.3 USD

99%

Synonym(s):

α,α,α-Trifluoroanisole, Phenyl trifluoromethyl ether

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25 G

$75.30

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About This Item

Linear Formula:

C₆H₅OCF₃

CAS Number:

456-55-3

Molecular Weight:

162.11

Beilstein/REAXYS Number:

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)

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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This Item	107840	365858	370622
Sigma-Aldrich 337064 (Trifluoromethoxy)benzene	Sigma-Aldrich 107840 2,2,2-Trifluoroacetophenone	Sigma-Aldrich 365858 4-Iodobenzotrifluoride	Sigma-Aldrich 370622 4-(Trifluoromethoxy)benzyl bromide
assay 99%	assay 99%	assay 97%	assay 97%
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 1.851 g/mL at 25 °C (lit.)	density 1.594 g/mL at 25 °C (lit.)
refractive index n20/D 1.406 (lit.)	refractive index n20/D 1.458 (lit.)	refractive index n20/D 1.516 (lit.)	refractive index n20/D 1.48 (lit.)
bp 102 °C (lit.)	bp 165-166 °C (lit.), 46-48 °C/14 mmHg (lit.)	bp 185-186 °C/745 mmHg (lit.)	bp 82-84 °C/10 mmHg (lit.)
form liquid	form -	form liquid	form liquid

General description

(Trifluoromethoxy)benzene is an aryl trifluoromethyl ether.[1] (Trifluoromethoxy)benzene can be prepared from 4-chloro-1-(trifluoromethoxy)benzene via hydrogenolysis.[1] Conformation of (trifluoromethoxy)benzene in the gas phase has been studied by electron diffraction and spectroscopy supplemented with ab initio calculations.[2]

pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H315,H319,H335

pcodes

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

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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