3-(2-Chlorophenyl)-2-cyanopropanoic acid

Base Information

Chemical Name:3-(2-Chlorophenyl)-2-cyanopropanoic acid
CAS No.:14650-19-2
Molecular Formula:C10H8 Cl N O2
Molecular Weight:209.632
Hs Code.:
European Community (EC) Number:632-574-9
NSC Number:157430
DSSTox Substance ID:DTXSID60303226
Mol file:14650-19-2.mol

Synonyms:14650-19-2;3-(2-chlorophenyl)-2-cyanopropanoic acid;3-(2-CHLOROPHENYL)-2-CYANOPROPIONIC ACID;2-(o-chlorobenzyl)cyanoacetic acid;NSC157430;SCHEMBL10335461;DTXSID60303226;KSLANAUEYUSFCF-UHFFFAOYSA-N;AC4334;MFCD00021688;AKOS022221694;NSC-157430;3-(2-chlorophenyl)-2-cyanopropanoicacid;SY047958;CS-0343901;EN300-303330

Suppliers and Price of 3-(2-Chlorophenyl)-2-cyanopropanoic 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
3-(2-chlorophenyl)-2-cyanopropanoicacid
100mg
$ 220.00

Sigma-Aldrich
3-(2-CHLOROPHENYL)-2-CYANOPROPIONIC ACID Aldrich
1ea
$ 144.00

American Custom Chemicals Corporation
3-(2-CHLOROPHENYL)-2-CYANOPROPIONIC ACID 95.00%
5MG
$ 495.56

AK Scientific
3-(2-Chlorophenyl)-2-cyanopropanoicacid
1g
$ 1275.00

Total 7 raw suppliers

Chemical Property of 3-(2-Chlorophenyl)-2-cyanopropanoic acid

Chemical Property:

Vapor Pressure:1.07E-06mmHg at 25°C
Melting Point:132-134 °C
Boiling Point:387.5°Cat760mmHg
PKA:2.38±0.11(Predicted)
Flash Point:188.1°C
PSA：61.09000
Density:1.347g/cm³
LogP:2.10688
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:209.0243562
Heavy Atom Count:14
Complexity:258

Purity/Quality:

97% ^*data from raw suppliers

3-(2-chlorophenyl)-2-cyanopropanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC(C#N)C(=O)O)Cl

Technology Process of 3-(2-Chlorophenyl)-2-cyanopropanoic acid

There total 3 articles about 3-(2-Chlorophenyl)-2-cyanopropanoic 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: 94.0%

: 15162-37-5
ethyl 2-(o-Chlorobenzyl)-Cyanoacetate

: 14650-19-2
2-(o-chlorobenzyl)cyanoacetic acid

Guidance literature:: With hydrogenchloride; sodium hydroxide; In water;

Reference yield:

: 7346-46-5
methyl 2-chloro-α-cyanohydrocinnamate

: 14650-19-2
2-(o-chlorobenzyl)cyanoacetic acid

Guidance literature:: With sodium hydroxide;
DOI:10.1021/jm00323a004

Reference yield:

: 611-19-8
1-chloro-2-(chloromethyl)benzene

: 14650-19-2
2-(o-chlorobenzyl)cyanoacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: NaOMe / methanol

2: aq. NaOH

With sodium hydroxide; sodium methylate; In methanol;
DOI:10.1021/jm00323a004