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Merck
CN

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:
1548-13-6
Molecular Weight:
187.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855075
EC Number:
216-284-6
Beilstein/REAXYS Number:
881041
MDL number:
MFCD00002028
Assay:
99%
Form:
liquid

Key Documents

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InChI key

QZTWVDCKDWZCLV-UHFFFAOYSA-N

InChI

1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H

SMILES string

FC(F)(F)c1ccc(cc1)N=C=O

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

Quality Level

100

Related Categories

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

pictograms

Health hazardExclamation mark
GHS08,GHS07

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9714
MKCV7114
MKCW8834
MKCQ9278
MKCS2968

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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

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