CAS No.68015-60-1,2-Aminobenzenesulfonic acid (1-methylethylidene)di-4,1-phenylene ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68015-60-1
Name:	2-Aminobenzenesulfonic acid (1-methylethylidene)di-4,1-phenylene ester

Formula:	C₂₇H₂₆N₂O₆S₂
Molecular Weight:	538.64
Synonyms:	Benzenesulfonicacid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester (9CI);
EINECS:	268-141-2
Density:	1.365 g/cm³
Melting Point:	158-159 °C
Boiling Point:	742 °C at 760 mmHg
Flash Point:	402.6 °C
PSA:	155.54000
LogP:	8.03630

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Specification

The 4,4'-Bis(2-amino-benzenesulfonyl)bisphenol ester, with the CAS registry number 68015-60-1, is also known as (1-Methylethylidene)bis(4,1-phenylene) bis(2-aminobenzenesulfonate). It belongs to the product category of Industrial/Fine Chemicals. Its EINECS registry number is 268-141-2. This chemical's molecular formula is C₂₇H₂₆N₂O₆S₂ and molecular weight is 538.64. Its IUPAC name is called [4-[2-[4-(2-aminophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl]2-aminobenzenesulfonate.

Physical properties of 4,4'-Bis(2-amino-benzenesulfonyl)bisphenol ester: (1)ACD/LogP: 5.82; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.82; (4)ACD/LogD (pH 7.4): 5.82; (5)ACD/BCF (pH 5.5): 15693.13; (6)ACD/BCF (pH 7.4): 15693.13; (7)ACD/KOC (pH 5.5): 35065.22; (8)ACD/KOC (pH 7.4): 35065.22; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 143.13 cm³; (14)Molar Volume: 394.5 cm³; (15)Surface Tension: 59 dyne/cm; (16)Density: 1.365 g/cm³; (17)Flash Point: 402.6 °C; (18)Enthalpy of Vaporization: 108.21 kJ/mol; (19)Boiling Point: 742 °C at 760 mmHg; (20)Vapour Pressure: 6.91E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc1ccc(cc1)C(c3ccc(OS(=O)(=O)c2ccccc2N)cc3)(C)C)c4ccccc4N
(2)InChI: InChI=1/C27H26N2O6S2/c1-27(2,19-11-15-21(16-12-19)34-36(30,31)25-9-5-3-7-23(25)28)20-13-17-22(18-14-20)35-37(32,33)26-10-6-4-8-24(26)29/h3-18H,28-29H2,1-2H3
(3)InChIKey: XSHPYHIIELUPAR-UHFFFAOYAY