4-N-HEXYLOXYPHTHALONITRILE

Catalog No: FT-0642578

CAS No: 104949-82-8

Chemical Name: 4-N-HEXYLOXYPHTHALONITRILE
Molecular Formula: C14H16N2O
Molecular Weight: 228.29
InChI Key: BMXSATBWGFIAPA-UHFFFAOYSA-N
InChI: InChI=1S/C14H16N2O/c1-2-3-4-5-8-17-14-7-6-12(10-15)13(9-14)11-16/h6-7,9H,2-5,8H2,1H3

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

Molecular_Structure:	['1. Molar refractive index 654 ', '2. Molar volume 2143 ', '3. Parachor （902K）5596 ', '4. Surface tension 464 ', '5. Dielectric constant N/A ', '6. Polarizability 2592 ', '7. Single isotope mass 228126263 Da ', '8. Nominal mass 228 Da ', '9. Average mass 2282896 Da']
LogP:	3.82
Flash_Point:	159.9±18.0 °C
Refractive_Index:	1.522
FW:	228.290
Density:	1.1±0.1 g/cm3
Bolling_Point:	399.5±32.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 568 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :309 ', '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']
PSA:	56.81000
Exact_Mass:	228.126266
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
MF:	C14H16N2O