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Name |
Benzoxazole,2,2'-(2,6-pyridinediyl)bis- |
EINECS | N/A |
CAS No. | 33858-36-5 | Density | 1.341 g/cm3 |
PSA | 64.95000 | LogP | 4.69800 |
Solubility | N/A | Melting Point |
120 °C |
Formula | C19H11N3O2 | Boiling Point | 479.4 °C at 760 mmHg |
Molecular Weight | 313.315 | Flash Point | 242.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,6-Bis(2-benzoxazolyl)pyridine; |
Article Data | 7 |
The Benzoxazole,2,2'-(2,6-pyridinediyl)bis-, with the CAS registry number 33858-36-5, is also known as 2,2'-Pyridine-2,6-diylbis(1,3-benzoxazole). This chemical's molecular formula is C19H11N3O2 and molecular weight is 313.315. What's more, its IUPAC name is called 2-[6-(1,3-Benzoxazol-2-yl)pyridin-2-yl]-1,3-benzoxazole.
Physical properties about Benzoxazole,2,2'-(2,6-pyridinediyl)bis- are: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 5.41; (5)ACD/BCF (pH 5.5): 7635.86; (6)ACD/BCF (pH 7.4): 7635.86; (7)ACD/KOC (pH 5.5): 20938.26; (8)ACD/KOC (pH 7.4): 20938.26; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.95 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 89.99 cm3; (15)Molar Volume: 233.4 cm3; (16)Surface Tension: 60.8 dyne/cm; (17)Density: 1.341 g/cm3; (18)Flash Point: 242.1 °C; (19)Enthalpy of Vaporization: 71.53 kJ/mol; (20)Boiling Point: 479.4 °C at 760 mmHg; (21)Vapour Pressure: 6.88E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c5ccccc5oc1c4nc(c2nc3ccccc3o2)ccc4
(2) InChI: InChI=1/C19H11N3O2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H
(3) InChIKey: LABDAMKZNFRJIA-UHFFFAOYAT