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24654-48-6

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Basic Information
CAS No.: 24654-48-6
Name: 4-FLUOROCINNAMONITRILE
Article Data: 5
Molecular Structure:
Molecular Structure of 24654-48-6 (4-FLUOROCINNAMONITRILE)
Formula: C9H6FN
Molecular Weight: 147.152
Synonyms: Cinnamonitrile,p-fluoro- (8CI);4-Fluorocinnamonitrile;NSC 636941;3-(4-Fluorophenyl)acrylonitrile;
Density: 1.149 g/cm3
Melting Point: 69-70 °C
Boiling Point: 249.1 °C at 760 mmHg
Flash Point: 101.6 °C
Hazard Symbols: ToxicT
PSA: 23.79000
LogP: 2.36248
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Specification

The CAS register number of 3-(4-Fluorophenyl)acrylonitrile is 24654-48-6. It also can be called as 2-Propenenitrile,3-(4-fluorophenyl)- and the systematic name about this chemical is (2E)-3-(4-fluorophenyl)prop-2-enenitrile. The molecular formula about this chemical is C9H6FN and the molecular weight is 147.15. It belongs to the following product categories, such as Halide; Aromatic Nitriles and so on.

Physical properties about 3-(4-Fluorophenyl)acrylonitrile are: (1)ACD/LogP: 2.33; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.79Å2; (5)Index of Refraction: 1.57; (6)Molar Refractivity: 42.04 cm3; (7)Molar Volume: 128 cm3; (8)Polarizability: 16.66x10-24cm3; (9)Surface Tension: 41.8 dyne/cm; (10)Enthalpy of Vaporization: 48.63 kJ/mol; (11)Boiling Point: 249.1 °C at 760 mmHg; (12)Vapour Pressure: 0.0234 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(\C=C\C#N)cc1
(2)InChI: InChI=1/C9H6FN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+
(3)InChIKey: WVWTVBZOOBKCKI-OWOJBTEDBA
(4)Std. InChI: InChI=1S/C9H6FN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+
(5)Std. InChIKey: WVWTVBZOOBKCKI-OWOJBTEDSA-N