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97802-08-9

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Basic Information
CAS No.: 97802-08-9
Name: 1,10-Phenanthroline, 4,7-bis(4-bromophenyl)-
Article Data: 5
Molecular Structure:
Molecular Structure of 97802-08-9 (1,10-Phenanthroline, 4,7-bis(4-bromophenyl)-)
Formula: C24H14Br2N2
Molecular Weight: 490.197
Synonyms: 1,10-Phenanthroline,4,7-bis(4-bromophenyl);4,7-bis-(4-bromophenyl)-1,10-phenanthroline;4,7-bis-(p-bromophenyl)-1,10-phenanthroline;
EINECS: 200-258-5
Density: 1.596 g/cm3
Boiling Point: 612.704 °C at 760 mmHg
Flash Point: 324.352 °C
PSA: 25.78000
LogP: 7.64200
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Specification

The CAS registry number of 1,10-Phenanthroline, 4,7-bis(4-bromophenyl)- is 97802-08-9. This chemical's molecular formula is C24H14Br2N2 and molecular weight is 487.95. What's more, both its IUPAC name and systematic name are the same which is called 4,7-Bis(4-bromophenyl)-1,10-phenanthroline.

Physical properties about 1,10-Phenanthroline, 4,7-bis(4-bromophenyl)- are: (1)ACD/LogP: 7.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 142376; (6)ACD/BCF (pH 7.4): 147314; (7)ACD/KOC (pH 5.5): 168324; (8)ACD/KOC (pH 7.4): 174161; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 122.685 cm3; (15)Molar Volume: 307.051 cm3; (16)Surface Tension: 58.986 dyne/cm; (17)Density: 1.596 g/cm3; (18)Flash Point: 324.352 °C; (19)Enthalpy of Vaporization: 87.611 kJ/mol; (20)Boiling Point: 612.704 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)c5ccnc3c5ccc2c(ccnc23)c4ccc(Br)cc4
(2) InChI: InChI=1S/C24H14Br2N2/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16/h1-14H
(3) InChIKey: QALMOXHIAPMJAB-UHFFFAOYSA-N