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467693

Sigma-Aldrich

4-Fluorothioanisole

97%

Synonym(s):

4-Fluorophenyl methyl sulfide

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About This Item

Linear Formula:
FC6H4SCH3
CAS Number:
371-15-3
Molecular Weight:
142.19
EC Number:
206-733-4
MDL number:
MFCD00040829
UNSPSC Code:
12352100
PubChem Substance ID:
24870431
NACRES:
NA.22

Quality Level

100

Assay

97%

refractive index

n20/D 1.551 (lit.)

bp

184-185 °C (lit.)

density

1.167 g/mL at 25 °C (lit.)

SMILES string

CSc1ccc(F)cc1

InChI

1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChI key

XFUMHENRNCUHOH-UHFFFAOYSA-N

Related Categories

General description

4-Fluorothioanisole is thioanisole derivative. Its conformations about the Csp2-S bond have been investigated by J method.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

165.2 °F - closed cup

Flash Point(C)

74 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Motion about the Csp 2-S bond in thioanisole and some derivatives by the J method.
Schaefer T and Baleja JD.
Canadian Journal of Chemistry, 64(7), 1326-1331 (1986)

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