476099
4-(Trifluoromethyl)phenyl isothiocyanate
97%
Synonym(s):
1-Isothiocyanato-4-(trifluoromethyl)benzene, 1-Isothiocyanato-4-trifluoromethylbenzene, p-Trifluoromethylphenyl isothiocyanate
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About This Item
Linear Formula:
CF3C6H4NCS
CAS Number:
Molecular Weight:
203.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
Quality Segment
assay
97%
form
solid
bp
81 °C/11 mmHg (lit.)
mp
39-43 °C (lit.)
functional group
fluoro, isothiocyanate
SMILES string
FC(F)(F)c1ccc(cc1)N=C=S
InChI
1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
InChI key
DQEVDFQAYLIBRD-UHFFFAOYSA-N
General description
4-(Trifluoromethyl)phenyl isothiocyanate, also referred as p-trifluoromethylphenylisothiocyanate, is an isothiocyanate derivative.
Application
4-(Trifluoromethyl)phenyl isothiocyanate may be used in the synthesis of 6-[1-amino-3-(4-trifluoromethylphenyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It may also be used in the synthesis of photoinduced electron transfer (PET) sensors.
signalword
Danger
hcodes
Hazard Classifications
Resp. Sens. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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