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
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
Related Categories
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Resp. Sens. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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The Journal of organic chemistry, 70(26), 10875-10878 (2005-12-17)
[structure: see text] The synthesis and UV-vis and NMR spectroscopic studies of thiourea-based colorimetric sensors for anions are presented. These sensors can recognize anions through hydrogen binding even in competitive pH-buffered aqueous solutions, giving rise to large color changes that
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The thiourea based 4-amino-1,8-naphthalimide molecules 1-5 were designed as fluorescent anion sensors and their photophysical properties investigated upon recognition of biologically relevant anions such as acetate, dihydrogen phosphate and fluoride in DMSO. Synthesised in a single step from their respective
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