4-(Trifluoromethoxy)phenylacetonitrile

Modify Date: 2024-01-02 14:24:59

4-(Trifluoromethoxy)phenylacetonitrile Structure
4-(Trifluoromethoxy)phenylacetonitrile structure
Common Name 4-(Trifluoromethoxy)phenylacetonitrile
CAS Number 49561-96-8 Molecular Weight 201.145
Density 1.3±0.1 g/cm3 Boiling Point 224.6±35.0 °C at 760 mmHg
Molecular Formula C9H6F3NO Melting Point 30-33 °C(lit.)
MSDS Chinese USA Flash Point 89.6±25.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-(trifluoromethoxy)phenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 224.6±35.0 °C at 760 mmHg
Melting Point 30-33 °C(lit.)
Molecular Formula C9H6F3NO
Molecular Weight 201.145
Flash Point 89.6±25.9 °C
Exact Mass 201.040146
PSA 33.02000
LogP 2.40
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.461

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H332
Precautionary Statements P280
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22;R36/38
Safety Phrases S36/37-S26/36/37/39
RIDADR 3276
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~94%

4-(Trifluoromethoxy)phenylacetonitrile Structure

4-(Trifluoromet...

CAS#:49561-96-8

Literature: NOVARTIS AG; Bock, Mark Gary; Gaul, Christoph; Gummadi, Venkateshwar Rao; Moebitz, Henrik; Sengupta, Saumitra Patent: US2014/45872 A1, 2014 ; Location in patent: Paragraph 0847 ;

~79%

4-(Trifluoromethoxy)phenylacetonitrile Structure

4-(Trifluoromet...

CAS#:49561-96-8

Literature: Marhold, Albrecht; Muller, Peter Patent: US2002/82454 A1, 2002 ;

~62%

4-(Trifluoromethoxy)phenylacetonitrile Structure

4-(Trifluoromet...

CAS#:49561-96-8

Literature: KALYPSYS, INC. Patent: US2007/270434 A1, 2007 ; Location in patent: Page/Page column 17 ; US 20070270434 A1

~%

4-(Trifluoromethoxy)phenylacetonitrile Structure

4-(Trifluoromet...

CAS#:49561-96-8

Literature: Orda,V.V. et al. J. Gen. Chem. USSR (Engl. Transl.), 1965 , vol. 35, p. 1628 - 1636,1631 - 1637

~%

4-(Trifluoromethoxy)phenylacetonitrile Structure

4-(Trifluoromet...

CAS#:49561-96-8

Literature: Orda,V.V. et al. J. Gen. Chem. USSR (Engl. Transl.), 1965 , vol. 35, p. 1628 - 1636,1631 - 1637

 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%

 Synonyms

NC1R DOXFFF
[4-(Trifluoromethoxy)phenyl]acetonitrile
4-(Trifluoromethoxy)phenylacetonitrile
2-[4-(Trifluoromethoxy)phenyl]acetonitrile
Benzeneacetonitrile, 4-(trifluoromethoxy)-
2-(4-(Trifluoromethoxy)phenyl)acetonitrile
MFCD00061240
4-(Trifluoromethoxy)benzeneacetonitrile
[4-Trifluoromethoxy)phenyl]acetonitrile
p-(Trifluoromethoxy)phenylacetonitrile
4-(Trifluoromethoxy)benzyl cyanide