2,6-Diacetylbiphenylene supplier

Name
2,6-Diacetylbiphenylene
EINECS
CAS No. 3509-59-9
Article Data5
CAS DataBase
Density 1.237 g/cm³
Solubility
Melting Point 253-255 ºC
Formula C₁₆H₁₂O₂
Boiling Point 407.5 °C at 760 mmHg
Molecular Weight 236.27
Flash Point 152.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Biphenylene,2,6-diacetyl- (6CI,7CI,8CI);Ethanone,1,1'-(2,6-biphenylenediyl)bis-;NSC 146591;1,1'-Biphenylene-2,6-diyldiethanone;
PSA 34.14000
LogP 3.73920

2,6-Diacetylbiphenylene Specification

The 2,6-Diacetylbiphenylene, with the CAS registry number 3509-59-9, is also known as Ethanone,1,1'-(2,6-biphenylenediyl)bis-. It belongs to the product categories of Biphenyl derivatives. This chemical's molecular formula is C₁₆H₁₂O₂ and molecular weight is 236.27. What's more, its systematic name is 1,1'-biphenylene-2,6-diyldiethanone.

Physical properties of 2,6-Diacetylbiphenylene are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 34.14 Å²; (7)Index of Refraction: 1.71; (8)Molar Refractivity: 74.67 cm³; (9)Molar Volume: 190.9 cm³; (10)Surface Tension: 53.4 dyne/cm; (11)Density: 1.237 g/cm³; (12)Flash Point: 152.5 °C; (13)Enthalpy of Vaporization: 65.94 kJ/mol; (14)Boiling Point: 407.5 °C at 760 mmHg; (15)Vapour Pressure: 7.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c3cc2c1c(cc(cc1)C(=O)C)c2cc3)C
(2)InChI: InChI=1S/C16H12O2/c1-9(17)11-3-5-13-15(7-11)14-6-4-12(10(2)18)8-16(13)14/h3-8H,1-2H3
(3)InChIKey: XUAXSOPQGBALPI-UHFFFAOYSA-N

Product Name

2,6-Diacetylbiphenylene

2,6-Diacetylbiphenylene Specification

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