Basic Information | Post buying leads | Suppliers |
Name |
2,1,3-Benzoxadiazole,4,7-bis(phenylsulfonyl)- |
EINECS | N/A |
CAS No. | 53619-77-5 | Density | 1.48 g/cm3 |
PSA | 123.96000 | LogP | 5.05000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H16N2O6S2 | Boiling Point | 678.9 °C at 760 mmHg |
Molecular Weight | 400.436 | Flash Point | 364.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzofurazan,4,7-bis(phenylsulfonyl)-; |
The CAS registry number of 2,1,3-Benzoxadiazole,4,7-bis(phenylsulfonyl) is 53619-77-5. This chemical's molecular formula is C20H16N2O6S2 and molecular weight is 444.4808. Its systematic name is called 4,7-bis[(4-methylphenyl)sulfonyl]-2,1,3-benzoxadiazole 1-oxide.
Physical properties of this chemical are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 311.55; (6)ACD/BCF (pH 7.4): 311.55; (7)ACD/KOC (pH 5.5): 2120.65; (8)ACD/KOC (pH 7.4): 2120.65; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.681; (13)Molar Refractivity: 112.91 cm3; (14)Molar Volume: 298.4 cm3; (15)Surface Tension: 60.8 dyne/cm; (16)Density: 1.48 g/cm3; (17)Flash Point: 364.4 °C; (18)Enthalpy of Vaporization: 96.05 kJ/mol; (19)Boiling Point: 678.9 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(c2[n+]([O-])onc12)S(=O)(=O)c3ccc(cc3)C)c4ccc(cc4)
(2)InChI: InChI=1/C20H16N2O6S2/c1-13-3-7-15(8-4-13)29(24,25)17-11-12-18(20-19(17)21-28-22(20)23)30(26,27)16-9-5-14(2)6-10-16/h3-12H,1-2H3
(3)InChIKey: KYPKSNSADFFYFW-UHFFFAOYAX