1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile

Catalog No: FT-0640931

CAS No: 64169-67-1

Chemical Name: 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile
Molecular Formula: C15H10FNO
Molecular Weight: 239.24
InChI Key: YXCRMKYHFFMNPT-UHFFFAOYSA-N
InChI: InChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2

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

Product_Name:	rac-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
Flash_Point:	180.8ºC
Melting_Point:	95-97°C
FW:	239.24400
Density:	1.29
CAS:	64169-67-1
Bolling_Point:	375°C
MF:	C15H10FNO

Molecular_Structure:	['1 . Molar refractive index 6507 ', '2 . Molar volume （m3/mol）1852 ', '3 . Parachor （902K）4995 ', '4 . Surface tension 529 ', '5 . Polarizability 2579']
Flash_Point:	180.8ºC
Refractive_Index:	1.62
FW:	239.24400
Density:	1.29
Bolling_Point:	375°C
Computational_Chemistry:	['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 33 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :342 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	3.31698
Melting_Point:	95-97°C
PSA:	33.02000
MF:	C15H10FNO
More_Info:	['1 . Appearance Solid 。 ', '2 . Density（g/mL,25/4℃）129 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）95-97 ', '5 . Boiling point（ºC,Atmospheric pressure）375 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 。']
Exact_Mass:	239.07500