CAS No.14473-90-6,3-Chlorocinnamic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14473-90-6
Name:	3-Chlorocinnamic acid
Article Data:	77

Formula:	C₉H₇ClO₂
Molecular Weight:	182.606
Synonyms:	2-Propenoicacid, 3-(3-chlorophenyl)-, (E)-;Cinnamic acid, m-chloro-, (E)- (8CI);(E)-3-(3-Chlorophenyl)acrylic acid;(E)-3-Chlorocinnamic acid;trans-3-(3-Chlorophenyl)acrylic acid;trans-3-Chlorocinnamic acid;trans-m-Chlorocinnamic acid;
EINECS:	217-478-3
Density:	1.333 g/cm³
Melting Point:	161-164 °C(lit.)
Boiling Point:	326.233 °C at 760 mmHg
Flash Point:	151.101 °C
Safety:	22-24/25
PSA:	37.30000
LogP:	2.43780

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Specification

This chemical is called 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)-, and it can also be named as (E)-m-Chlorocinnamic acid. With the molecular formula of C₉H₇ClO₂, its molecular weight is 182.60. The CAS registry number of this chemical is 14473-90-6.

Other characteristics of the 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)- can be summarised as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 48.6 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 19.26×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.332 g/cm³; (19)Flash Point: 151.1 °C; (20)Enthalpy of Vaporization: 60 kJ/mol; (21)Boiling Point: 326.2 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-05 mmHg at 25°C.

Uses of this chemical: The 3,5-dichloro-benzo[b]thiophene-2-carbonyl chloride could be obtained by the reactant of 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)-. This reaction needs the reagents of SOCl₂, pyridine. The yield is 72.8 %. This reaction should be taken for 0.5 hour at the temperature of 140 °C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(/C=C/C(=O)O)ccc1
2.InChI: InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
3.InChIKey: FFKGOJWPSXRALK-SNAWJCMRBM