4-pentoxybenzene-1,2-dicarbonitrile

Catalog No: FT-0760305

CAS No: 106943-83-3

Chemical Name: 4-pentoxybenzene-1,2-dicarbonitrile
Molecular Formula: C13H14N2O
Molecular Weight: 214.26
InChI Key: LEYRHJFOAFEIDH-UHFFFAOYSA-N
InChI: InChI=1S/C13H14N2O/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3

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

Bolling_Point:	387.9±32.0 °C at 760 mmHg
CAS:	106943-83-3
MF:	C13H14N2O
Density:	1.1±0.1 g/cm3
Melting_Point:	35ºC
Product_Name:	4-(Pentyloxy)phthalonitrile
Flash_Point:	157.9±18.0 °C
FW:	214.263

MF:	C13H14N2O
Density:	1.1±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 568 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :296 ', '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']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）35 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，12mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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:	214.110611
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
Flash_Point:	157.9±18.0 °C
PSA:	56.81000
Molecular_Structure:	['1. Molar refractive index 6077 ', '2. Molar volume 198 ', '3. Parachor （902K）5195 ', '4. Surface tension 473 ', '5. Dielectric constant N/A ', '6. Polarizability 2409 ', '7. Single isotope mass 214110613 Da ', '8. Nominal mass 214 Da ', '9. Average mass 2142631 Da']
LogP:	3.29
Melting_Point:	35ºC
Bolling_Point:	387.9±32.0 °C at 760 mmHg
FW:	214.263
Refractive_Index:	1.526