1,4-Butanedione,2,3-dibromo-1,4-diphenyl- supplier

Name
1,2-DIBENZOYL-1,2-DIBROMOETHANE
EINECS
CAS No. 22867-05-6
Article Data7
CAS DataBase
Density 1.646 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₂Br₂O₂
Boiling Point 463.5 °C at 760 mmHg
Molecular Weight 396.078
Flash Point 120.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Dibenzoyl-1,2-dibromoethane;
PSA 34.14000
LogP 4.27920

1,4-Butanedione,2,3-dibromo-1,4-diphenyl- Specification

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

Product Name

1,2-DIBENZOYL-1,2-DIBROMOETHANE

1,4-Butanedione,2,3-dibromo-1,4-diphenyl- Specification

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