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2-Fluorocinnamaldehyde

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Name

2-Fluorocinnamaldehyde

EINECS N/A
CAS No. 149733-71-1 Density 1.138 g/cm3
PSA 17.07000 LogP 2.03780
Solubility N/A Melting Point N/A
Formula C9H7FO Boiling Point 245.6 °C at 760 mmHg
Molecular Weight 150.152 Flash Point 91.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 149733-71-1 (2-Fluorocinnamaldehyde) Hazard Symbols N/A
Synonyms

(E)-3-(2-Fluorophenyl)-2-propenal;

Article Data 11

2-Fluorocinnamaldehyde Specification

The 2-Fluorocinnamaldehyde, with the CAS registry number of 149733-71-1, is also known as (E)-3-(2-Fluorophenyl)-2-propenal. This chemical's molecular formula is C9H7FO and molecular weight is 150.15. What's more, its IUPAC name is (E)-3-(2-Fluorophenyl)prop-2-enal.

Physical properties about the 2-Fluorocinnamaldehyde are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 42.32 cm3; (11)Molar Volume: 131.9 cm3; (12)Surface Tension: 37.3 dyne/cm; (13)Density: 1.138 g/cm3; (14)Flash Point: 91.3 °C; (15)Enthalpy of Vaporization: 48.27 kJ/mol; (16)Boiling Point: 245.6 °C at 760 mmHg; (17)Vapour Pressure: 0.0284 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:c1ccc(c(c1)C=CC=O)F
(2) InChI:InChI=1/C9H7FO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
(3) InChIKey:WMSYHZMJKDCFAK-HWKANZROBD

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