Product Name

  • Name

    3-Fluorocinnamaldehyde

  • EINECS
  • CAS No. 56578-38-2
  • Article Data19
  • CAS DataBase
  • Density 1.138 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H7FO
  • Boiling Point 245.628 °C at 760 mmHg
  • Molecular Weight 150.152
  • Flash Point 91.327 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 56578-38-2 (3-Fluorocinnamaldehyde)
  • Hazard Symbols
  • Synonyms 2-Propenal,3-(3-fluorophenyl)-, (E)-;
  • PSA 17.07000
  • LogP 2.03780

3-Fluorocinnamaldehyde Specification

The 3-Fluorocinnamaldehyde, with cas registry number 56578-38-2, has the systematic name of (2E)-3-(3-fluorophenyl)prop-2-enal. Besides this, it is also called 2-propenal, 3-(3-fluorophenyl)-, (2E)-. And the chemical formula of this chemical is C9H7FO.

Physical properties about this chemical are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 42.323 cm3; (9)Molar Volume: 131.937 cm3; (10)Polarizability: 16.778×10-24cm3; (11)Surface Tension: 37.382 dyne/cm; (12)Enthalpy of Vaporization: 48.272 kJ/mol; (13)Vapour Pressure: 0.028 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Fc1cc(ccc1)/C=C/C=O
(2)InChI: InChI=1/C9H7FO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
(3)InChIKey: DWPBUTPTXDAJJX-DUXPYHPUBY
(4)Std. InChI: InChI=1S/C9H7FO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
(5)Std. InChIKey: DWPBUTPTXDAJJX-DUXPYHPUSA-N

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