557994
2-Fluorothioanisole
97%
Synonym(s):
2-Fluorophenyl methyl sulfide
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About This Item
Linear Formula:
FC6H4SCH3
CAS Number:
Molecular Weight:
142.19
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
97%
InChI
1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
SMILES string
CSc1ccccc1F
InChI key
AYTSELVZWGHUEE-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.5590 (lit.)
bp
197-199 °C (lit.)
density
1.174 g/mL at 25 °C (lit.)
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
195.1 °F - closed cup
flash_point_c
90.6 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Jean Sun Lim et al.
Chemical science, 10(8), 2404-2412 (2019-03-19)
The surface crossing of bound and unbound electronic states in multidimensional space often gives rise to resonances in the continuum. This situation happens in the πσ*-mediated photodissociation reaction of 2-fluorothioanisole; optically-bright bound S1 (ππ*) vibrational states of 2-fluorothioanisole are strongly
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