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250821 Sigma-Aldrich

4-(Trifluoromethyl)phenyl isocyanate

99%

Synonym: α,α,α-Trifluoro-p-tolyl isocyanate

  • CAS Number 1548-13-6

  • Linear Formula CF3C6H4NCO

  • Molecular Weight 187.12

  •  Beilstein/REAXYS Number 881041

  •  EC Number 216-284-6

  •  MDL number MFCD00002028

  •  PubChem Substance ID 24855075

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
assay   99%
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

Description

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

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Respiratory system
RIDADR 
UN 3382 6.1 / PGI
WGK Germany 
WGK 3
Flash Point(F) 
156.2 °F - closed cup
Flash Point(C) 
69 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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