Phenyl cyanoacetate

Base Information

Chemical Name:Phenyl cyanoacetate
CAS No.:6131-48-2
Molecular Formula:C9H7 N O2
Molecular Weight:161.16
Hs Code.:2926909090
European Community (EC) Number:228-102-2
DSSTox Substance ID:DTXSID00976796
Nikkaji Number:J227.312H
Wikidata:Q82961779
Mol file:6131-48-2.mol

Synonyms:Phenyl cyanoacetate;6131-48-2;phenyl 2-cyanoacetate;EINECS 228-102-2;phenylcyanoacetate;Cyanoacetic acid phenyl ester;SCHEMBL2785387;DTXSID00976796

Suppliers and Price of Phenyl cyanoacetate

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

American Custom Chemicals Corporation
2-[[4-(2,4-DIFLUOROPHENYL)-1,3-THIAZOL-2-YL]CARBAMOYL]BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID 95.00%
5MG
$ 504.74

Total 9 raw suppliers

Chemical Property of Phenyl cyanoacetate

Chemical Property:

Melting Point:41 °C
Boiling Point:162 °C(Press: 12 Torr)
PKA:1.01±0.10(Predicted)
PSA：50.09000
Density:1.498g/cm³
LogP:1.50568
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:198

Purity/Quality:

98%Min ^*data from raw suppliers

2-[[4-(2,4-DIFLUOROPHENYL)-1,3-THIAZOL-2-YL]CARBAMOYL]BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Phenyl cyanoacetate

There total 3 articles about Phenyl cyanoacetate 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: 81.0%

: 372-09-8
cyanoacetic acid

: 108-95-2,27073-41-2
phenol

: 6131-48-2
phenyl 2-cyanoacetate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 12h; Inert atmosphere;
DOI:10.1039/c6cc04155h