2,5-bis(trifluoromethyl)benzonitrile

Catalog No: FT-0725065

CAS No: 51012-27-2

Chemical Name: 2,5-bis(trifluoromethyl)benzonitrile
Molecular Formula: C9H3F6N
Molecular Weight: 239.12 g/mol
InChI Key: OMAYRCLGTUORSS-UHFFFAOYSA-N
InChI: InChI=1S/C9H3F6N/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-3H

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
FW:	239.117
CAS:	51012-27-2
MF:	C9H3F6N
Flash_Point:	83.5±25.9 °C
Product_Name:	2,5-Bis(trifluoromethyl)benzonitrile
Bolling_Point:	214.5±35.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

Refractive_Index:	1.417
Vapor_Pressure:	0.2±0.4 mmHg at 25°C
Flash_Point:	83.5±25.9 °C
LogP:	4.00
Bolling_Point:	214.5±35.0 °C at 760 mmHg
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）194 ', '6 . Boiling point（ºC，15mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Computational_Chemistry:	['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :295 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C9H3F6N
Exact_Mass:	239.016968
FW:	239.117
Density:	1.5±0.1 g/cm3
PSA:	23.79000