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250821

Sigma-Aldrich

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
Beilstein:
881041
EC Number:
216-284-6
MDL number:
MFCD00002028
UNSPSC Code:
12352100
PubChem Substance ID:
24855075
NACRES:
NA.22
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Quality Level

100

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

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Application

4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of:
  • fluorescent photoinduced electron transfer (PET) chemosensors[1]
  • 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions[2]
  • 1,8-naphthalimide based colorimetric and fluorescent sensor for anions[3]

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

156.2 °F - closed cup

Flash Point(C)

69 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV7114
MKCW8834
MKCQ9278
MKCS2968
MKCM3142

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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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