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159387

3-(Trifluoromethyl)phenyl isocyanate

97%

Synonym(s):

α,α,α-Trifluoro-m-tolyl isocyanate

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About This Item

Linear Formula:
CF3C6H4NCO
CAS Number:
329-01-1
Molecular Weight:
187.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849812
EC Number:
206-341-3
Beilstein/REAXYS Number:
744880
MDL number:
MFCD00002020
Assay:
97%
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vapor pressure

2.44 psi ( 20 °C)

Quality Segment

100

assay

97%

refractive index

n20/D 1.467 (lit.)

bp

54 °C/11 mmHg (lit.)

density

1.359 g/mL at 25 °C (lit.)

functional group

fluoro, isocyanate

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

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.

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1A - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

136.4 °F - closed cup

flash_point_c

58 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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