4-Chlorocinnamic acid

Base Information

Chemical Name:4-Chlorocinnamic acid
CAS No.:940-62-5
Molecular Formula:C₉H₇ClO₂
Molecular Weight:182.606
Hs Code.:
European Community (EC) Number:213-373-1,216-564-8
NSC Number:52172,2756,1509
DSSTox Substance ID:DTXSID001275521
Nikkaji Number:J40.580I,J208.177F
Wikidata:Q27130822
Metabolomics Workbench ID:61469
ChEMBL ID:CHEMBL327951
Mol file:940-62-5.mol

Synonyms:4-CHLOROCINNAMIC ACID;1615-02-7;trans-4-Chlorocinnamic acid;940-62-5;p-Chlorocinnamic acid;3-(4-chlorophenyl)acrylic acid;(E)-p-Chlorocinnamic acid;(2E)-3-(4-chlorophenyl)prop-2-enoic acid;trans-p-Chlorocinnamic acid;(E)-3-(4-CHLOROPHENYL)ACRYLIC ACID;Cinnamic acid, p-chloro-;3-(p-Chlorophenyl)acrylic acid;(2E)-3-(4-chlorophenyl)acrylic acid;(E)-3-(4-chlorophenyl)prop-2-enoic acid;CCRIS 3779;CHEBI:61116;2-PROPENOIC ACID, 3-(4-CHLOROPHENYL)-, (2E)-;NSC 1509;NSC 2756;EINECS 216-564-8;MFCD00004396;2-Propenoic acid, 3-(4-chlorophenyl)-;3-(4-Chlorophenyl)-2-propenoic acid;4-Chlorocinnamic Acid, Predominantly Trans;AI3-16650;CHEMBL327951;Cinnamic acid, p-chloro-, (E)-;Cinnamic acid, p-chloro-, trans-;EINECS 213-373-1;NSC 52172;(2E)-3-(4-Chlorophenyl)-2-propenoic acid;WLN: QV1U1R DG;2-Propenoic acid, 3-(4-chlorophenyl)-, (E)-;4-chloro-trans-cinnamic acid;trans-3-(4-Chlorophenyl)propenoic acid;4-ChlorocinnamicAcid;P-chloro cinnamic acid;4-Chlorobenzeneacrylic acid;p-Chloro-trans-cinnamic acid;4-Chlorocinnamic acid, 99%;3-(4-chlorophenyl)acrylicacid;AMY3852;NSC1509;NSC2756;DTXSID001275521;HMS1513H03;BCP21408;NSC-1509;NSC-2756;NSC52172;E-3-(4-chlorophenyl)propenoic acid;BBL036957;BDBM50486901;NSC-52172;STK065389;AKOS000119901;MS-9830;IDI1_030035;s12285;(E)-3-(4-Chloro-phenyl)-acrylic acid;NCGC00342159-01;trans-3-(4-chloro-phenyl)-acrylic acid;AC-10322;LS-13584;LS-54045;CS-0015730;EN300-17694;(2E)-3-(4-Chlorophenyl)-2-propenoic acid #;EN300-364934;AB00443734-03;A810264;A922539;AE-641/01605057;SR-01000597225;SR-01000597225-1;W-107972;Q27130822;Z56989206;F0850-6846;(E)-3-(4-chlorophenyl)prop-2-enoate;4-Chlorocinnamic acid;4-(8-chloro-4-oxoquinazolin-3(4H)-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide

Suppliers and Price of 4-Chlorocinnamic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
trans-4-ChlorocinnamicAcid
5g
$ 90.00

Crysdot
(E)-3-(4-Chlorophenyl)acrylicacid 97%
100g
$ 50.00

Crysdot
(E)-3-(4-Chlorophenyl)acrylicacid 97%
500g
$ 160.00

Biosynth Carbosynth
trans-4-Chlorocinnamic acid
25 g
$ 500.00

Biosynth Carbosynth
trans-4-Chlorocinnamic acid
10 g
$ 240.00

Biosynth Carbosynth
trans-4-Chlorocinnamic acid
2 g
$ 90.00

Biosynth Carbosynth
trans-4-Chlorocinnamic acid
1 g
$ 60.00

Biosynth Carbosynth
trans-4-Chlorocinnamic acid
5 g
$ 140.00

Aronis compounds
3-(4-chlorophenyl)acrylicacid
1g
$ 133.00

American Custom Chemicals Corporation
(E)-3-(4-CHLOROPHENYL)ACRYLIC ACID 95.00%
5G
$ 970.20

Total 13 raw suppliers

Chemical Property of 4-Chlorocinnamic acid

Chemical Property:

Melting Point:248-250 °C(lit.)
Refractive Index:1.5426 (estimate)
Boiling Point:325.3°Cat760mmHg
PKA:4.35±0.10(Predicted)
Flash Point:150.5°C
PSA：37.30000
Density:1.332g/cm³
LogP:2.43780
Storage Temp.:2-8°C
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:182.0134572
Heavy Atom Count:12
Complexity:181

Purity/Quality:

97% ^*data from raw suppliers

trans-4-ChlorocinnamicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22
Safety Statements: 36

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Organic Acids
Canonical SMILES:C1=CC(=CC=C1C=CC(=O)O)Cl
Isomeric SMILES:C1=CC(=CC=C1/C=C/C(=O)O)Cl
Uses trans-4-Chlorocinnamic Acid (cas# 940-62-5) is a compound useful in organic synthesis.

Technology Process of 4-Chlorocinnamic acid

There total 94 articles about 4-Chlorocinnamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 20754-21-6
methyl 3-(4-chlorophenyl)propenoate

: 1615-02-7,940-62-5
3-(4-chlorophenyl)prop-2-enoic acid

Guidance literature:: With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 2h;
DOI:10.1021/acs.jmedchem.9b01835

Reference yield: 96.0%

: 79-10-7
acrylic acid

: 4-(chloro)benzenediazonium benzo[d][1,3,2]dithiazol-2-ide-1,1,3,3-tetraoxide

: 1615-02-7,940-62-5
3-(4-chlorophenyl)prop-2-enoic acid

Guidance literature:: With calcium carbonate; palladium diacetate; In tetrahydrofuran; at 60 ℃; for 4.5h;
DOI:10.1016/j.tet.2006.01.027

Reference yield: 94.0%

: 558-13-4
carbon tetrabromide

: 101671-01-6,5153-70-8
1-nitro-2-(4-chlorophenyl)ethylene

: 1615-02-7,940-62-5
3-(4-chlorophenyl)prop-2-enoic acid

Guidance literature:: With tris(2,2'-bipyridyl)ruthenium dichloride; water; diisopropylamine; In acetonitrile; at 20 ℃; for 10h; stereoselective reaction; Inert atmosphere; Irradiation;
DOI:10.1039/c7nj04578f