4-(Trifluoromethyl)benzonitrile
Names
[ CAS No. ]:
455-18-5
[ Name ]:
4-(Trifluoromethyl)benzonitrile
[Synonym ]:
MFCD00001826
4-(Trifluoromethyl)benzonitrile
4-Cyanobenzotrifluoride
p-Tolunitrile, α,α, α-trifluoro-
NCR DXFFF
Trifluoro-p-tolunitrile
p-Cyanobenzotrifluoride
Benzonitrile, 4-(trifluoromethyl)-
α,α,α-Trifluoro-p-tolunitrile
EINECS 207-239-1
p-(Trifluoromethyl)benzonitrile
Alpha,Alpha,Alpha-Trifluoro-p-Tolunitrile
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Boiling Point ]:
183.2±0.0 °C at 760 mmHg
[ Melting Point ]:
39-41 °C(lit.)
[ Molecular Formula ]:
C8H4F3N
[ Molecular Weight ]:
171.119
[ Flash Point ]:
71.7±0.0 °C
[ Exact Mass ]:
171.029587
[ PSA ]:
23.79000
[ LogP ]:
2.63
[ Vapour Pressure ]:
0.8±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.461
MSDS
Safety Information
[ Symbol ]:
GHS02, GHS07
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H228-H302 + H312 + H332
[ Precautionary Statements ]:
P210-P280
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R20/21/22
[ Safety Phrases ]:
S36/37-S45
[ RIDADR ]:
UN 1325 4.1/PG 2
[ WGK Germany ]:
3
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
29269095
Precursor & DownStream
Precursor
DownStream
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
J. Am. Chem. Soc. 131 , 10964, (2009)
Allyl cyanides are found to add across alkynes in the presence of a nickel/P(4-CF(3)-C(6)H(4))(3) catalyst to give polysubstituted 2,5-hexadienenitriles with defined stereo- and regiochemistry. Use of...
Improving palladium-catalyzed cyanation of aryl halides: development of a state-of-the-art methodology using potassium hexacyanoferrate (II) as cyanating agent. Schareina T, et al.J. Organomet. Chem. 689(24) , 4576-83, (2004)