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Basic Information
CAS No.: 71225-00-8
Name: 1,4-DIBENZOYL-1,4-DIBROMOBUTANE
Molecular Structure:
Molecular Structure of 71225-00-8 (1,4-DIBENZOYL-1,4-DIBROMOBUTANE)
Formula: C18H16Br2O2
Molecular Weight: 424.132
Synonyms: 2,5-Dibromo-1,6-diphenylhexane-1,6-dione;
Density: 1.55 g/cm3
Boiling Point: 512.5 °C at 760 mmHg
Flash Point: 123.3 °C
PSA: 34.14000
LogP: 5.05940
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Specification

The CAS registry number of 1,6-Hexanedione,2,5-dibromo-1,6-diphenyl- is 71225-00-8. The systematic name is 2,5-dibromo-1,6-diphenylhexane-1,6-dione. In addition, the molecular formula is C18H16Br2O2 and the molecular weight is 424.13. What's more, it should be stored in a cool and dry place.

Physical properties about 1,6-Hexanedione,2,5-dibromo-1,6-diphenyl- are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.09; (4)ACD/LogD (pH 7.4): 5.09; (5)ACD/BCF (pH 5.5): 4380.24; (6)ACD/BCF (pH 7.4): 4380.24; (7)ACD/KOC (pH 5.5): 14066.23; (8)ACD/KOC (pH 7.4): 14066.23; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 34.14 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 95.15 cm3; (14)Molar Volume: 273.5 cm3; (15)Polarizability: 37.72 ×10-24cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Density: 1.55 g/cm3; (18)Flash Point: 123.3 °C; (19)Enthalpy of Vaporization: 78.38 kJ/mol; (20)Boiling Point: 512.5 °C at 760 mmHg; (21)Vapour Pressure: 1.28E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(Br)CCC(Br)C(=O)c2ccccc2
(2)InChI: InChI=1/C18H16Br2O2/c19-15(17(21)13-7-3-1-4-8-13)11-12-16(20)18(22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
(3)InChIKey: CYMCSOQEVOCQBZ-UHFFFAOYAA