1,3-Phenylenebis(2,2-propanediyl-4,1-phenylene) dicyanate supplier

Name
4,4'-[1,3-Phenylenebis(1-methyl-ethylidene)]bisphenyl cyanate
EINECS
CAS No. 127667-44-1
Density 1.13 g/cm³
Solubility
Melting Point 68 °C
Formula C₂₆H₂₄N₂O₂
Boiling Point 493.697 °C at 760 mmHg
Molecular Weight 396.49
Flash Point 170.826 °C
Transport Information
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyanicacid, 1,3-phenylenebis[(1-methylethylidene)-4,1-phenylene] ester (9CI);AroCyXU 366;Cyanic acid diester with bisphenol M;RTX 366;RTX 84921;XU 366;
PSA 66.04000
LogP 6.09876

1,3-Phenylenebis(2,2-propanediyl-4,1-phenylene) dicyanate Specification

The 4,4'-[1,3-Phenylenebis(1-methyl-ethylidene)]bisphenyl cyanate, with its CAS registry number 127667-44-1, has the systematic name of benzene-1,3-diylbis(propane-2,2-diylbenzene-4,1-diyl) dicyanate. And this chemical has its molecular formula of C₂₆H₂₄N₂O₂ and its molecular weight of 396.49.

The characteristics of 4,4'-[1,3-Phenylenebis(1-methyl-ethylidene)]bisphenyl cyanate are as follows: (1)ACD/LogP: 6.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.9; (4)ACD/LogD (pH 7.4): 6.9; (5)ACD/BCF (pH 5.5): 104010.34; (6)ACD/BCF (pH 7.4): 104010.34; (7)ACD/KOC (pH 5.5): 135769.44; (8)ACD/KOC (pH 7.4): 135769.44; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.04 ; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 115.74 cm³; (15)Molar Volume: 350.7 cm³; (16)Polarizability: 45.88×10^-24 cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 170.8 °C; (20)Enthalpy of Vaporization: 76.09 kJ/mol; (21)Boiling Point: 493.7 °C at 760 mmHg; (22)Vapour Pressure: 6.88E-10 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:N#COc1ccc(cc1)C(C)(C)c2cccc(c2)C(C)(C)c3ccc(OC#N)cc3
(2)InChI:InChI=1/C26H24N2O2/c1-25(2,19-8-12-23(13-9-19)29-17-27)21-6-5-7-22(16-21)26(3,4)20-10-14-24(15-11-20)30-18-28/h5-16H,1-4H3
(3)InChIKey:QODYBLNVIHQJIW-UHFFFAOYAG

Product Name

4,4'-[1,3-Phenylenebis(1-methyl-ethylidene)]bisphenyl cyanate

1,3-Phenylenebis(2,2-propanediyl-4,1-phenylene) dicyanate Specification

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