250821
4-(Trifluoromethyl)phenyl isocyanate
99%
Synonym(s):
α,α,α-Trifluoro-p-tolyl isocyanate
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About This Item
Linear Formula:
CF3C6H4NCO
CAS Number:
Molecular Weight:
187.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
216-284-6
Beilstein/REAXYS Number:
881041
MDL number:
Assay:
99%
Form:
liquid
Quality Level
assay
99%
form
liquid
refractive index
n20/D 1.474 (lit.)
bp
58-59 °C/10 mmHg (lit.)
density
1.31 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
FC(F)(F)c1ccc(cc1)N=C=O
InChI
1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
InChI key
QZTWVDCKDWZCLV-UHFFFAOYSA-N
Application
4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of:
- fluorescent photoinduced electron transfer (PET) chemosensors
- 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions
- 1,8-naphthalimide based colorimetric and fluorescent sensor for anions
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
156.2 °F - closed cup
flash_point_c
69 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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3-Urea-1, 8-naphthalimides are good chemosensors: a highly selective dual colorimetric and fluorescent ICT based anion sensor for fluoride.
Duke RM and Gunnlaugsson T.
Tetrahedron Letters, 52(13), 1503-1505 (2011)
Colorimetric 'naked-eye'and fluorescent sensors for anions based on amidourea functionalised 1, 8-naphthalimide structures: anion recognition via either deprotonation or hydrogen bonding in DMSO.
Ali HDP, et al.
New. J. Chem., 32(7), 1153-1161 (2008)
Thorfinnur Gunnlaugsson et al.
Organic & biomolecular chemistry, 3(1), 48-56 (2004-12-17)
The synthesis of the fluorescent photoinduced electron transfer (PET) chemosensors 1-3 for bis-anions such as bis-carboxylates and pyrophosphate in organic solvents is described herein. These sensors are based on the receptor-spacer-fluorophore-spacer-receptor motif where the receptors are charge neutral aromatic thiourea
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 250821-5G | 04061825937441 |