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Sigma-Aldrich

Benzyl 2,2,2-trifluoroethyl sulfide

97%

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About This Item

Linear Formula:
C6H5CH2SCH2CF3
CAS Number:
77745-03-0
Molecular Weight:
206.23
Beilstein/REAXYS Number:
4245572
MDL number:
MFCD00191786
UNSPSC Code:
12352100
PubChem Substance ID:
24864666
assay:
97%

assay

97%

refractive index

n20/D 1.490 (lit.)

bp

45-46 °C/20 mmHg (lit.)

density

1.222 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)CSCc1ccccc1

InChI

1S/C9H9F3S/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI key

ZDVBYNCJCIYCFO-UHFFFAOYSA-N

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General description

Benzyl 2,2,2-trifluoroethyl sulfide is a sulphur containing organic building block. Various physical properties (density and refractive index) of benzyl 2,2,2-trifluoroethyl sulfide have been reported.[1]

application

Benzyl 2,2,2-trifluoroethyl sulfide may be used in the synthesis of 2,2,2-trifluoroethanesulfonic acid.[2]

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

48.2 °F - closed cup

flash_point_c

9 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
07814HH
09010EC
07317HG
00623LF
12907TO

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Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 234-234 (2015)
Synthesis of 2, 2, 2-trifluoroethanesulfonic acid.
Bunyagidj C, et al.
The Journal of Organic Chemistry, 46(16), 3335-3336 (1981)

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