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196681

4-(Trifluoromethyl)benzonitrile

99%

Synonym(s):

α,α,α-Trifluoro-p-tolunitrile

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About This Item

Linear Formula:
CF3C6H4CN
CAS Number:
455-18-5
Molecular Weight:
171.12
NACRES:
NA.22
PubChem Substance ID:
24851784
UNSPSC Code:
12352100
EC Number:
207-239-1
MDL number:
MFCD00001826
Assay:
99%
Form:
solid
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Quality Segment

100

assay

99%

form

solid

refractive index

n20/D 1.4583 (lit.)

bp

80-81 °C/20 mmHg (lit.)

mp

39-41 °C (lit.)

density

1.278 g/mL at 25 °C (lit.)

functional group

fluoro, nitrile

SMILES string

FC(F)(F)c1ccc(cc1)C#N

InChI

1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H

InChI key

DRNJIKRLQJRKMM-UHFFFAOYSA-N

General description

4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Sol. 1

Storage Class

4.1B - Flammable solid hazardous materials

wgk

WGK 3

flash_point_f

161.6 °F - closed cup

flash_point_c

72 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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