All Photos(1)
Synonym(s):
4-Fluorophenyl methyl sulfide
Linear Formula:
FC6H4SCH3
CAS Number:
Molecular Weight:
142.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
165.2 °F
Flash Point(C)
74 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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