2-(Trifluoromethyl)benzonitrile

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Names

[ CAS No. ]:
447-60-9

[ Name ]:
2-(Trifluoromethyl)benzonitrile

[Synonym ]:
NCR BXFFF
ortho-trifluoromethylbenzonitrile
trifluoromethylbenzonitrile
o-Trifluoromethylbenzonitrile
2-(Trifluoromethyl)benzonitrile
o-(Trifluoromethyl)benzonitrile
Benzonitrile, 2-(trifluoromethyl)-
2-Cyanobenzotrifluoride
EINECS 207-184-3
α,α,α-trifluoro-o-tolunitrile
a,a,a-trifluoro-o-tolunitrile
bistrifluoromethylbenzonitrile
MFCD00001791

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
205.0±35.0 °C at 760 mmHg

[ Melting Point ]:
7.5 °C(lit.)

[ Molecular Formula ]:
C₈H₄F₃N

[ Molecular Weight ]:
171.119

[ Flash Point ]:
90.0±0.0 °C

[ Exact Mass ]:
171.029587

[ PSA ]:
23.79000

[ LogP ]:
2.63

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.461

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S61

[ RIDADR ]:
UN 3276 6.1/PG 3

[ WGK Germany ]:
2

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Bromobenzotrifluoride
1-((4-methoxyphenyl)ethynyl)-2-(trifluoromethyl)benzene
POTASSIUM CYANIDE
2-Chlorobenzotrifluoride
2-(Trifluoromethyl)benzamide
(Trifluoromethyl)trimethylsilane
2-Nitrobenzonitrile
2-Bromobenzonitrile
copper(1+),trifluoromethane
Benzotrifluoride

DownStream

2-(Trifluoromethyl)benzamide
Methyl 2-(trifluoromethyl)benzoate
2-(Trifluoromethyl)benzoylacetonitrile
2-(Trifluoromethyl)benzoic acid
2-Aminobenzotrifluoride
2-(Trifluoromethyl)thiobenzamide
o-Tolunitrile
2-(Trifluoromethyl)benzylamine
1-(2-(Trifluoromethyl)phenyl)cyclopropanamine hydrochloride
Phthalic acid

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

CH5137291, an androgen receptor nuclear translocation-inhibiting compound, inhibits the growth of castration-resistant prostate cancer cells.

Int. J. Oncol. 46(4) , 1560-72, (2015)

Resistance of prostate cancer to castration is currently an unavoidable problem. The major mechanisms underlying such resistance are androgen receptor (AR) overexpression, androgen-independent activat...

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 Lett. 44(7) , 1453-55, (2003)

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.

Can. J. Chem. 86(1) , 32-38, (2008)

3-Iodo-2-(trifluoromethyl)benzonitrile
5-Iodo-2-(trifluoromethyl)benzonitrile
4-Iodo-2-(trifluoromethyl)benzonitrile
3-bromo-2-(trifluoromethyl)benzonitrile
4-Nitro-2-(trifluoromethyl)benzonitrile
5-Bromo-2-(trifluoromethyl)benzonitrile
1H-1,4-Diazepine-2-methanamine, hexahydro-N,4,7,7-tetramethyl-1-[(tetrahydro-2-furanyl)methyl]-
Pyrene-2,7-diamine
2,3-Dihydro-1,1-dimethyl-1H-indene-5-carbonitrile
Methyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate
4-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1H-pyrazole
Ethyl 2-(1-methyl-1H-pyrazol-5-yl)-2-oxoacetate
9-Hydroxy-4,7-dimethoxy-10H-1,3-dioxolo[4,5-b]xanthen-10-one
Methyl 4-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
tert-butyl N-[2-(4-chlorophenyl)-2-oxoethyl]carbamate
3-Heptyl-3-methyloxirane-2-carbonitrile

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