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2-Butene-1,4-dione,1,4-diphenyl-, (2E)-

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Name

2-Butene-1,4-dione,1,4-diphenyl-, (2E)-

EINECS 213-498-1
CAS No. 959-28-4 Density 1.141 g/cm3
PSA 34.14000 LogP 3.30840
Solubility N/A Melting Point 109-112 ºC
Formula C16H12O2 Boiling Point 368.5 °C at 760 mmHg
Molecular Weight 236.27 Flash Point 138.2 °C
Transport Information N/A Appearance yellow crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 959-28-4 (TRANS-1,2-DIBENZOYLETHYLENE) Hazard Symbols N/A
Synonyms

2-Butene-1,4-dione,1,4-diphenyl-, (E)- (8CI);2-Butene-1,4-dione, 1,4-diphenyl-, trans- (6CI);(E)-1,2-Dibenzoylethene;(E)-1,2-Dibenzoylethylene;(E)-1,4-Diphenyl-2-butene-1,4-dione;(E)-Dibenzoylethylene;NSC 1983;trans-1,2-Bis(benzoyl)ethylene;trans-1,2-Dibenzoylethene;trans-1,2-Dibenzoylethylene;trans-1,4-Diphenyl-2-butene-1,4-dione;trans-Dibenzoylethene;trans-Dibenzoylethylene;

Article Data 82

2-Butene-1,4-dione,1,4-diphenyl-, (2E)- Specification

The 2-Butene-1,4-dione,1,4-diphenyl-, (2E)-, with the CAS registry number 959-28-4, is also known as 4-Diphenyl-4-dion(e)-2-butene-1. Its EINECS number is 213-498-1. This chemical's molecular formula is C16H12O2 and molecular weight is 236.27. What's more, its systematic name is (2E)-1,4-diphenylbut-2-ene-1,4-dione. It is stable at common pressure and temperature, and it should avoid contact with oxidates. It should be sealed and stored in a cool, ventilated and dry place. what's more, it should be far away from heating source and incompatible compounds. Besides, you should not breathe dust. When using it, you must avoid contact with skin and eyes. 

Physical properties of 2-Butene-1,4-dione,1,4-diphenyl-, (2E)-are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 70.57 cm3; (9)Molar Volume: 207 cm3; (10)Polarizability: 27.97×10-24cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.141 g/cm3; (13)Flash Point: 138.2 °C; (14)Enthalpy of Vaporization: 61.52 kJ/mol; (15)Boiling Point: 368.5 °C at 760 mmHg; (16)Vapour Pressure: 1.27E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\C(=O)c1ccccc1)c2ccccc2
(2)InChI: InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+
(3)InChIKey: WYCXGQSQHAXLPK-VAWYXSNFSA-N

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