467693

Sigma-Aldrich

4-Fluorothioanisole

97%

Synonym(s):
4-Fluorophenyl methyl sulfide
Linear Formula:
FC6H4SCH3
CAS Number:
Molecular Weight:
142.19
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

General description

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

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

165.2 °F - closed cup

Flash Point(C)

74 °C - closed cup

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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