3-(Trifluoromethyl)phenyl isocyanate
CAS Registry Number®
329-01-1
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CAS Name
3-(Trifluoromethyl)phenyl isocyanateMolecular Formula
C8H4F3NOMolecular Mass
187.12Cite this Page
3-(Trifluoromethyl)phenyl isocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=329-01-1 (retrieved ) (CAS RN: 329-01-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
54 °C @ Press: 11 TorrDensity (2)
1.3455 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey
InChIKey=SXJYSIBLFGQAND-UHFFFAOYSA-N
SMILES
C(F)(F)(F)C1=CC(N=C=O)=CC=C1
Canonical SMILES
O=C=NC1=CC=CC(=C1)C(F)(F)F
Other Names for this Substance
- Benzene, 1-isocyanato-3-(trifluoromethyl)-
- Isocyanic acid, α,α,α-trifluoro-m-tolyl ester
- 1-Isocyanato-3-(trifluoromethyl)benzene
- m-(Trifluoromethyl)phenyl isocyanate
- 3-(Trifluoromethyl)phenyl isocyanate
