2-Propenal,3-[1,1'-biphenyl]-4-yl-, (2E)- supplier

Name
4-PHENYLCINNAMALDEHYDE
EINECS
CAS No. 113538-22-0
Article Data28
CAS DataBase
Density 1.078 g/cm³
Solubility
Melting Point 121-123 °C
Formula C₁₅H₁₂O
Boiling Point 383.5 °C at 760 mmHg
Molecular Weight 208.26
Flash Point 147.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenal,3-[1,1'-biphenyl]-4-yl-, (E)-;4-Phenylcinnamadehyde;(2E)-3-Biphenyl-4-ylprop-2-enal;
PSA 17.07000
LogP 3.56570

2-Propenal,3-[1,1'-biphenyl]-4-yl-, (2E)- Specification

The 2-Propenal,3-[1,1'-biphenyl]-4-yl-, (2E)-, with the CAS registry number 113538-22-0, is also known as 4-Phenylcinnamadehyde. This chemical's molecular formula is C₁₅H₁₂O and molecular weight is 208.26. What's more, its systematic name is (2E)-3-Biphenyl-4-ylprop-2-enal.

Physical properties of 2-Propenal,3-[1,1'-biphenyl]-4-yl-, (2E)- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 523.97; (6)ACD/BCF (pH 7.4): 523.97; (7)ACD/KOC (pH 5.5): 3076.7; (8)ACD/KOC (pH 7.4): 3076.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 66.92 cm³; (15)Molar Volume: 193 cm³; (16)Polarizability: 26.52×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.078 g/cm³; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 63.21 kJ/mol; (21)Boiling Point: 383.5 °C at 760 mmHg; (22)Vapour Pressure: 4.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\c2ccc(c1ccccc1)cc2
(2)InChI: InChI=1S/C15H12O/c16-12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-12H/b5-4+
(3)InChIKey: DEGNTTFHGNUFKP-SNAWJCMRSA-N

Product Name

4-PHENYLCINNAMALDEHYDE

2-Propenal,3-[1,1'-biphenyl]-4-yl-, (2E)- Specification

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