4-Fluorocinnamaldehyde supplier

Name
4-Fluorocinnamaldehyde
EINECS
CAS No. 24654-55-5
Article Data60
CAS DataBase
Density 1.18 g/cm³
Solubility Insoluble in water
Melting Point 24 °C
Formula C₉H₇FO
Boiling Point 245.6 °C at 760 mmHg
Molecular Weight 150.152
Flash Point 91.3 °C
Transport Information
Appearance Light yellow crystalline
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamaldehyde,p-fluoro- (8CI);3-(4-Fluorophenyl)acrolein;p-Fluorocinnamaldehyde;
PSA 17.07000
LogP 2.03780

4-Fluorocinnamaldehyde Specification

The systematic name of 4-Fluorocinnamaldehyde is (2E)-3-(4-fluorophenyl)prop-2-enal. With the CAS registry number 24654-55-5, it is also named as 2-propenal, 3-(4-fluorophenyl)-, (2E)-. The product's categorie is aromatic aldehydes & derivatives (substituted). It is light yellow crystalline which is insoluble in water, and soluble in organic solvents such as ethanol. Additionally, this chemical can be used in organic synthesis and as pharmaceutical intermediate. Furthermore, it must be sealed in the container and the container is placed in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.57; (6)ACD/BCF (pH 7.4): 24.57; (7)ACD/KOC (pH 5.5): 344.29; (8)ACD/KOC (pH 7.4): 344.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 42.32 cm³; (14)Molar Volume: 131.9 cm³; (15)Polarizability: 16.77×10^-24 cm³; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.138 g/cm3; (18)Flash Point: 91.3 °C; (19)Enthalpy of Vaporization: 48.27 kJ/mol; (20)Boiling Point: 245.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0284 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(/C=C/C=O)cc1
2. InChI:InChI=1/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
3. InChIKey:YSIYEWBILJZDQH-OWOJBTEDBG

Product Name

4-Fluorocinnamaldehyde

4-Fluorocinnamaldehyde Specification

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