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Name |
5-Phenyl-1,10-phenanthroline |
EINECS | 228-172-4 |
CAS No. | 6153-89-5 | Density | 1.223 g/cm3 |
PSA | 25.78000 | LogP | 4.45000 |
Solubility | N/A | Melting Point |
202-203℃ |
Formula | C18H12N2 | Boiling Point | 436.4 °C at 760 mmHg |
Molecular Weight | 256.307 | Flash Point | 192.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Phenyl-1,10-phenanthroline;5-Phenylpyridino[3,2-h]quinoline; |
Article Data | 5 |
The 5-Phenyl-1,10-phenanthroline, with the CAS registry number 6153-89-5, is also known as 5-Phenylpyridino[3,2-h]quinoline. Its EINECS number is 228-172-4. This chemical's molecular formula is C18H12N2 and molecular weight is 256.30. What's more, its IUPAC name is 5-Phenyl-1,10-phenanthroline.
Physical properties of 5-Phenyl-1,10-phenanthroline are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 223.04; (6)ACD/BCF (pH 7.4): 286.32; (7)ACD/KOC (pH 5.5): 1553.48; (8)ACD/KOC (pH 7.4): 1994.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 82.71 cm3; (15)Molar Volume: 209.3 cm3; (16)Polarizability: 32.78×10-24 cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 192.4 °C; (20)Enthalpy of Vaporization: 66.61 kJ/mol; (21)Boiling Point: 436.4 °C at 760 mmHg; (22)Vapour Pressure: 2.07E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC=NC3=C4C(=C2)C=CC=N4
(2)InChI: InChI=1S/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H
(3)InChIKey: QQEQHUHZBMUJET-UHFFFAOYSA-N