(2-Phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate) supplier

Name
(2-Phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)
EINECS
CAS No. 2209-89-4
Article Data4
CAS DataBase
Density 1.296 g/cm³
Solubility
Melting Point
Formula C₂₆H₂₈O₈S₂
Boiling Point 689.855 °C at 760 mmHg
Molecular Weight 532.636
Flash Point 371.011 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dioxane-5,5-dimethanol,2-phenyl-, bis(4-methylbenzenesulfonate) (9CI);m-Dioxane-5,5-dimethanol,2-phenyl-, di-p-toluenesulfonate (8CI);(2-phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate);
PSA 121.96000
LogP 6.30780

(2-Phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate) Specification

The 1,3-Dioxane-5,5-dimethanol,2-phenyl-, 5,5-bis(4-methylbenzenesulfonate), with CAS registry number 2209-89-4, has the systematic name of (2-phenyl-1,3-dioxane-5,5-diyl)dimethanediyl bis(4-methylbenzenesulfonate). And the chemical formula of this chemical is C₂₆H₂₈O₈S₂.

Physical properties of 1,3-Dioxane-5,5-dimethanol,2-phenyl-, 5,5-bis(4-methylbenzenesulfonate): (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1433; (6)ACD/BCF (pH 7.4): 1433; (7)ACD/KOC (pH 5.5): 6322; (8)ACD/KOC (pH 7.4): 6322; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 121.96 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 135.757 cm³; (15)Molar Volume: 410.898 cm³; (16)Polarizability: 53.818×10^-24cm³; (17)Surface Tension: 46.632 dyne/cm; (18)Density: 1.296 g/cm³; (19)Flash Point: 371.011 °C; (20)Enthalpy of Vaporization: 97.479 kJ/mol; (21)Boiling Point: 689.855 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)OC[C@@]2(COC(OC2)c3ccccc3)COS(=O)(=O)c4ccc(C)cc4
(2)InChI: InChI=1/C26H28O8S2/c1-20-8-12-23(13-9-20)35(27,28)33-18-26(16-31-25(32-17-26)22-6-4-3-5-7-22)19-34-36(29,30)24-14-10-21(2)11-15-24/h3-15,25H,16-19H2,1-2H3
(3)InChIKey: BAERJOLTNZNBGP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C26H28O8S2/c1-20-8-12-23(13-9-20)35(27,28)33-18-26(16-31-25(32-17-26)22-6-4-3-5-7-22)19-34-36(29,30)24-14-10-21(2)11-15-24/h3-15,25H,16-19H2,1-2H3
(5)Std. InChIKey: BAERJOLTNZNBGP-UHFFFAOYSA-N

Product Name

(2-Phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)

(2-Phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate) Specification

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