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Merck
CN

172901

3-(Trifluoromethyl)benzonitrile

99%

Synonym(s):

α,α,α-Trifluoro-m-tolunitrile, 3-Cyanobenzotrifluoride

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About This Item

Linear Formula:
CF3C6H4CN
CAS Number:
368-77-4
Molecular Weight:
171.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850426
EC Number:
206-711-4
Beilstein/REAXYS Number:
1868102
MDL number:
MFCD00001807
Assay:
99%
Form:
liquid

Key Documents

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InChI key

OGOBINRVCUWLGN-UHFFFAOYSA-N

InChI

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

SMILES string

FC(F)(F)c1cccc(c1)C#N

assay

99%

form

liquid

refractive index

n20/D 1.4575 (lit.)

bp

189 °C (lit.)

mp

16-20 °C (lit.)

density

1.281 g/mL at 25 °C (lit.)

functional group

fluoro, nitrile

Quality Level

100

Related Categories

Application

3-(Trifluoromethyl)benzonitrile (α, α, α -trifluoro-m-tolunitrile) was used as a reference compound in the determination of the electron affinity of 1,3,5,7-cyclooctatetraene (COT).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

161.6 °F - closed cup

flash_point_c

72 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4682
SDBB4459
SDBB4458
SDBB4455
STBL1465

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Electron affinity of 1, 3, 5, 7-cyclooctatetraene determined by the kinetic method.
Denault JW, et al.
Journal of the American Society For Mass Spectrometry, 9(11), 1141-1145 (1998)

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