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232947

Sigma-Aldrich

2-(Trifluoromethyl)benzonitrile

98%

Synonym(s):

α,α,α-Trifluoro-o-tolunitrile

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About This Item

Linear Formula:
CF3C6H4CN
CAS Number:
447-60-9
Molecular Weight:
171.12
EC Number:
207-184-3
MDL number:
MFCD00001791
UNSPSC Code:
12352100
PubChem Substance ID:
24853941

Assay

98%

refractive index

n20/D 1.4632 (lit.)

mp

7.5 °C (lit.)

density

1.294 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1ccccc1C#N

InChI

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

InChI key

SOZGHDCEWOLLHV-UHFFFAOYSA-N

General description

2-(Trifluoromethyl)benzonitrile reacts with tert-butyl acetate in the presence of sulfuric acid to give the corresponding N-tert-butyl amides.

Application

2-(Trifluoromethyl)benzonitrile was used in the synthesis of symmetrical N,N′-alkylidine bisamides.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 2

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A convenient and efficient protocol for the synthesis of symmetrical N,N'-alkylidine bisamides by sulfamic acid under solvent-free conditions.
Selvam NP, et al.
Canadian Journal of Chemistry, 86(1), 32-38 (2008)
An efficient method for the conversion of aromatic and aliphatic nitriles to the corresponding N-tert-butyl amides: a modified Ritter reaction.
Reddy KL.
Tetrahedron Letters, 44(7), 1453-1455 (2003)
Megumi Morimoto et al.
PloS one, 12(12), e0189480-e0189480 (2017-12-08)
Sarcopenia and cachexia present characteristic features of a decrease in skeletal muscle mass and strength, anorexia, and lack of motivation. Treatments for these diseases have not yet been established, although selective androgen receptor modulators (SARMs) are considered as therapeutic targets.
Nobuyuki Ishikura et al.
International journal of oncology, 46(4), 1560-1572 (2015-01-31)
Resistance of prostate cancer to castration is currently an unavoidable problem. The major mechanisms underlying such resistance are androgen receptor (AR) overexpression, androgen-independent activation of AR, and AR mutation. To address this problem, we developed an AR pure antagonist, CH5137291

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