159387

Sigma-Aldrich

3-(Trifluoromethyl)phenyl isocyanate

97%

Synonym(s):
α,α,α-Trifluoro-m-tolyl isocyanate
Linear Formula:
CF3C6H4NCO
CAS Number:
Molecular Weight:
187.12
Beilstein/REAXYS Number:
744880
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

2.44 psi ( 20 °C)

Quality Level

assay

97%

refractive index

n20/D 1.467 (lit.)

bp

54 °C/11 mmHg (lit.)

density

1.359 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

FC(F)(F)c1cccc(c1)N=C=O

InChI

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

InChI key

SXJYSIBLFGQAND-UHFFFAOYSA-N

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Application

3-(Trifluoromethyl)phenyl isocyanate (α,α,α-Trifluoro-m-tolyl isocyanate) was used in the preparation of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3-(trifluoromethyl)phenyl)uryl-benzyl)-1,1′-binaphthalene. It was also used in the preparation of cholesteryl trifluoromethylphenyl carbamate.

Packaging

5, 25 g in glass bottle

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 3384 3(6.1) / PGI

WGK Germany

WGK 2

Flash Point(F)

136.4 °F - closed cup

Flash Point(C)

58 °C - closed cup

The Interaction of Amphotericin B with Cholesteryl Trifluoromethylphenyl-carbamate.
Vijan LE, et al.
Revista de Chimie (Bucharest, Romania), 60(2), 142-146 (2009)
Effects of ring substituents on enantioselective recognition of amino alcohols and acids in uryl-based binol receptors.
Nandhakumar R, et al.
Tetrahedron, 64(33), 7704-7708 (2008)
Carlos Juan et al.
Antimicrobial agents and chemotherapy, 54(2), 846-851 (2009-11-26)
The activity of the new cephalosporin CXA-101 (CXA), previously designated FR264205, was evaluated against a collection of 236 carbapenem-resistant P. aeruginosa isolates, including 165 different clonal types, from a Spanish multicenter (127-hospital) study. The MICs of CXA were compared to...

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