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13702-35-7

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Basic Information
CAS No.: 13702-35-7
Name: 1-Phenyldecane-1,3-dione
Article Data: 50
Molecular Structure:
Molecular Structure of 13702-35-7 (1-Phenyldecane-1,3-dione)
Formula: C15H12O
Molecular Weight: 208.26
Synonyms: Acrolein,2,3-diphenyl- (6CI,7CI,8CI);2,3-Diphenylacrolein;a-Phenylcinnamaldehyde;benzeneacetaldehyde, α-(phenylmethylene)-, (alpha)-;2,3-Diphenylacrylaldehyde;
EINECS: 272-599-9
Density: 1.097 g/cm3
Melting Point: 44-46 °C(lit.)
Boiling Point: 354.6 °C at 760 mmHg
Flash Point: 138.9 °C
PSA: 34.14000
LogP: 4.18900
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Specification

The Benzeneacetaldehyde, α-(phenylmethylene)-, with the CAS registry number 13702-35-7, has the systematic name of 2,3-diphenylprop-2-enal. And the molecular formula of this chemical is C15H12O. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetaldehyde, α-(phenylmethylene)- are as following: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 67.1 cm3; (9)Molar Volume: 189.8 cm3; (10)Polarizability: 26.6×10-24cm3; (11)Surface Tension: 44.7 dyne/cm; (12)Density: 1.097 g/cm3; (13)Flash Point: 138.9 °C; (14)Enthalpy of Vaporization: 59.96 kJ/mol; (15)Boiling Point: 354.6 °C at 760 mmHg; (16)Vapour Pressure: 3.31E-05 mmHg at 25°C.

Uses of Benzeneacetaldehyde, α-(phenylmethylene)-: It can react with dibenzothiophen-3-ol to 3,3-diphenyl-3H-4-oxa-11-thia-benzo[a]fluorene. This reaction will need reagent Ti(IV) ethoxide, and the solvent toluene. The reaction time is 4.5 hours with heating, and the yield is about 32%.

Benzeneacetaldehyde, a-(phenylmethylene)- can react with dibenzothiophen-3-ol to 3,3-diphenyl-3H-4-oxa-11-thia-benzo[a]fluorene

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C(=C\c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C15H12O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H/b15-11-
(3)InChIKey: JYVONCAJVKBEGI-PTNGSMBKBY