3-(Trifluoromethyl)benzonitrile

Name: 3-(Trifluoromethyl)benzonitrile
Brand: ALDRICH
Price: 72.1 USD
Availability: InStock

99%

Synonym(s):

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

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25 G

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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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Product Name

3-(Trifluoromethyl)benzonitrile, 99%

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

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Show Differences

1 of 4

This Item	A41801	290556	250279
Sigma-Aldrich 172901 3-(Trifluoromethyl)benzonitrile	Sigma-Aldrich A41801 3-(Trifluoromethyl)aniline	Sigma-Aldrich 290556 3-(Trifluoromethyl)benzyl bromide	Sigma-Aldrich 250279 3-(Trifluoromethyl)benzoyl chloride
assay 99%	assay ≥99%	assay 98%	assay 98%
Quality Level 100	Quality Level 100	Quality Level 200	Quality Level 100
mp 16-20 °C (lit.)	mp 5-6 °C (lit.)	mp -	mp -
bp 189 °C (lit.)	bp 187 °C (lit.)	bp 69 °C/4 mmHg (lit.)	bp 184-186 °C/750 mmHg (lit.)
density 1.281 g/mL at 25 °C (lit.)	density 1.29 g/mL at 25 °C (lit.)	density 1.565 g/mL at 25 °C (lit.)	density 1.383 g/mL at 25 °C (lit.)
form liquid	form liquid	form -	form liquid

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)[1].

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312,H335

pcodes

P261 - P264 - P271 - P280 - P301 + P312 - P302 + P352 + P312

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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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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