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Name |
1,4-Butanedione,2,3-dibromo-1,4-diphenyl- |
EINECS | N/A |
CAS No. | 22867-05-6 | Density | 1.646 g/cm3 |
PSA | 34.14000 | LogP | 4.27920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H12Br2O2 | Boiling Point | 463.5 °C at 760 mmHg |
Molecular Weight | 396.078 | Flash Point | 120.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Dibenzoyl-1,2-dibromoethane; |
Article Data | 7 |
The 1,4-Butanedione,2,3-dibromo-1,4-diphenyl-, with the CAS registry number of 22867-05-6, is also known as 1,2-Dibenzoyl-1,2-dibromoethane. This chemical's molecular formula is C16H12Br2O2 and molecular weight is 396.07. What's more, its IUPAC name is 2,3-Dibromo-1,4-diphenylbutane-1,4-dione.
Physical properties about the 1,4-Butanedione,2,3-dibromo-1,4-diphenyl- are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.632; (8)Molar Refractivity: 85.89 cm3; (9)Molar Volume: 240.5 cm3; (10)Surface Tension: 53.9 dyne/cm; (11)Density: 1.646 g/cm3; (12)Flash Point: 120.5 °C; (13)Enthalpy of Vaporization: 72.48 kJ/mol; (14)Boiling Point: 463.5 °C at 760 mmHg; (15)Vapour Pressure: 9.02E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)C(Br)C(Br)C(=O)c2ccccc2
(2) InChI: InChI=1/C16H12Br2O2/c17-13(15(19)11-7-3-1-4-8-11)14(18)16(20)12-9-5-2-6-10-12/h1-10,13-14H
(3) InChIKey: BTCCTQSIHBZYIV-UHFFFAOYAO