4,5-Bis(benzyloxy)phthalonitrile supplier

Name
1,2-BENZENEDICARBONITRILE, 4,5-BIS(PHENYLMETHOXY)-
EINECS
CAS No. 206995-45-1
Article Data3
CAS DataBase
Density 1.244 g/cm³
Solubility
Melting Point 183.5-184.5 °C
Formula C₂₂H₁₆N₂O₂
Boiling Point 561.808 °C at 760 mmHg
Molecular Weight 340.381
Flash Point 215.225 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Bis(benzyloxy)phthalonitrile;
PSA 66.04000
LogP 4.58796

4,5-Bis(benzyloxy)phthalonitrile Specification

The 1,2-Benzenedicarbonitrile,4,5-bis(phenylmethoxy)-, with CAS registry number 206995-45-1, has the systematic name of 4,5-bis(benzyloxy)benzene-1,2-dicarbonitrile. Besides this, it is also called 1,2-Benzenedicarbonitrile, 4,5-bis(phenylmethoxy)-. And the chemical formula of this chemical is C₂₂H₁₆N₂O₂.

Physical properties of 1,2-Benzenedicarbonitrile,4,5-bis(phenylmethoxy)-: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1488; (6)ACD/BCF (pH 7.4): 1488; (7)ACD/KOC (pH 5.5): 6493; (8)ACD/KOC (pH 7.4): 6493; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.04 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 98.046 cm³; (15)Molar Volume: 273.55 cm³; (16)Polarizability: 38.868×10^-24cm³; (17)Surface Tension: 61.362 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 215.225 °C; (20)Enthalpy of Vaporization: 84.473 kJ/mol; (21)Boiling Point: 561.808 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc3cc(OCc1ccccc1)c(OCc2ccccc2)cc3C#N
(2)InChI: InChI=1/C22H16N2O2/c23-13-19-11-21(25-15-17-7-3-1-4-8-17)22(12-20(19)14-24)26-16-18-9-5-2-6-10-18/h1-12H,15-16H2
(3)InChIKey: GKXPEJISVXRJBA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C22H16N2O2/c23-13-19-11-21(25-15-17-7-3-1-4-8-17)22(12-20(19)14-24)26-16-18-9-5-2-6-10-18/h1-12H,15-16H2
(5)Std. InChIKey: GKXPEJISVXRJBA-UHFFFAOYSA-N

Product Name

1,2-BENZENEDICARBONITRILE, 4,5-BIS(PHENYLMETHOXY)-

4,5-Bis(benzyloxy)phthalonitrile Specification

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