CAS No.49678-02-6,4-Chlorocinnamaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49678-02-6
Name:	4-Chlorocinnamaldehyde

Formula:	C₉H₇ClO
Molecular Weight:	166.60
Synonyms:	2-Propenal,3-(4-chlorophenyl)-, (E)-;(E)-3-(4-Chlorophenyl)-2-propenal;(E)-4-Chlorocinnamaldehyde;(E)-p-Chlorocinnamaldehyde;3-(4-Chlorophenyl)-(E)-propenal;trans-3-(4-Chlorophenyl)-2-propenal;trans-p-Chlorocinnamaldehyde;
Density:	1.192 g/cm³
Melting Point:	57-63°C
Boiling Point:	290.4 °C at 760 mmHg
Flash Point:	134.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/38-43
Safety:	26-36/37
PSA:	17.07000
LogP:	2.55210

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Specification

The 4-Chlorocinnamaldehyde is an organic compound with the formula C₉H₇ClO. The systematic name of this chemical is (2E)-3-(4-chlorophenyl)prop-2-enal. With the CAS registry number 49678-02-6, it is also named as 2-propenal, 3-(4-chlorophenyl)-, (2E)-. The product's categories are Aromatic Cinnamic Acids; Esters and Derivatives.

Physical properties about 4-Chlorocinnamaldehyde are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 60.61; (5)ACD/BCF (pH 7.4): 60.61; (6)ACD/KOC (pH 5.5): 656.97; (7)ACD/KOC (pH 7.4): 656.97; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 47.22 cm³; (13)Molar Volume: 139.6 cm³; (14)Polarizability: 18.72×10^-24cm³; (15)Surface Tension: 41.7 dyne/cm; (16)Density: 1.192 g/cm³; (17)Flash Point: 134.6 °C; (18)Enthalpy of Vaporization: 52.97 kJ/mol; (19)Boiling Point: 290.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00208 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(/C=C/C=O)cc1
(2)InChI: InChI=1/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
(3)InChIKey: HONRSHHPFBMLBT-OWOJBTEDBX
(4)Std. InChI: InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
(5)Std. InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N