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CAS No.: | 959-28-4 |
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Name: | TRANS-1,2-DIBENZOYLETHYLENE |
Article Data: | 82 |
Molecular Structure: | |
Formula: | C16H12O2 |
Molecular Weight: | 236.27 |
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; |
EINECS: | 213-498-1 |
Density: | 1.141 g/cm3 |
Melting Point: | 109-112 ºC |
Boiling Point: | 368.5 °C at 760 mmHg |
Flash Point: | 138.2 °C |
Appearance: | yellow crystalline powder |
Safety: | 22-24/25 |
PSA: | 34.14000 |
LogP: | 3.30840 |
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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