CAS No.24654-55-5,4-Fluorocinnamaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24654-55-5
Name:	4-Fluorocinnamaldehyde
Article Data:	60

Formula:	C₉H₇FO
Molecular Weight:	150.152
Synonyms:	Cinnamaldehyde,p-fluoro- (8CI);3-(4-Fluorophenyl)acrolein;p-Fluorocinnamaldehyde;
Density:	1.18 g/cm³
Melting Point:	24 °C
Boiling Point:	245.6 °C at 760 mmHg
Flash Point:	91.3 °C
Solubility:	Insoluble in water
Appearance:	Light yellow crystalline
PSA:	17.07000
LogP:	2.03780

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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