(2-Cyanophenyl)acetic acid

Base Information

Chemical Name:(2-Cyanophenyl)acetic acid
CAS No.:18698-99-2
Molecular Formula:C9H7NO2
Molecular Weight:161.16
Hs Code.:2926909090
European Community (EC) Number:242-510-8
UNII:JV82PCF67H
DSSTox Substance ID:DTXSID30171959
Nikkaji Number:J222.275B
Wikidata:Q72457881
Mol file:18698-99-2.mol

Synonyms:2-(2-cyanophenyl)acetic acid;18698-99-2;(2-Cyanophenyl)acetic acid;2-cyanophenylacetic acid;2-Cyanobenzeneacetic acid;(2-Cyano-phenyl)-acetic acid;Benzeneacetic acid, 2-cyano-;MFCD01646238;JV82PCF67H;EINECS 242-510-8;(2-Cyano-phenyl)-aceticacid;BENZENEACETIC ACID,2-CYANO-;UNII-JV82PCF67H;2-(Cyanophenyl)acetic acid;2-(2-cyanophenyl)aceticacid;AC-907/34120043;SCHEMBL3974171;DTXSID30171959;CL8757;AKOS005257280;AM83034;CS-W005104;FS-3472;(2-Cyanophenyl)acetic acid, AldrichCPR;AC-28490;SY013014;A4137;FT-0600186;J-500727

Suppliers and Price of (2-Cyanophenyl)acetic 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
2-(2-Cyanophenyl)aceticAcid
500mg
$ 45.00

TRC
2-(2-Cyanophenyl)aceticAcid
5g
$ 75.00

Matrix Scientific
2-(2-Cyanophenyl)acetic acid 95+%
1g
$ 108.00

Matrix Scientific
2-(2-Cyanophenyl)acetic acid 95+%
5g
$ 432.00

Crysdot
2-(2-Cyanophenyl)aceticacid 97%
100g
$ 594.00

Chemenu
2-(2-Cyanophenyl)aceticacid 95+%
100g
$ 561.00

Chemenu
2-(2-Cyanophenyl)aceticacid 95+%
25g
$ 204.00

Chemenu
2-(2-Cyanophenyl)aceticacid 95+%
10g
$ 102.00

Chemcia Scientific
(2-Cyano-phenyl)-aceticacid ＞97%
10 G
$ 90.00

Biosynth Carbosynth
2-(2-Cyanophenyl)acetic acid
25 g
$ 660.00

Total 56 raw suppliers

Chemical Property of (2-Cyanophenyl)acetic acid

Chemical Property:

Vapor Pressure:5.08E-05mmHg at 25°C
Melting Point:122-123℃
Boiling Point:334.4 °C at 760 mmHg
PKA:3.99±0.10(Predicted)
Flash Point:156 °C
PSA：61.09000
Density:1.26 g/cm³
LogP:1.18538
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:216

Purity/Quality:

99%, ^*data from raw suppliers

2-(2-Cyanophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CC(=O)O)C#N
Uses 2-(2-Cyanophenyl)acetic Acid is used in preparation of tricyclic compounds as ERK inhibitors for treating cancers and autoimmune diseases.

Technology Process of (2-Cyanophenyl)acetic acid

There total 6 articles about (2-Cyanophenyl)acetic 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: 80.0%

: 3759-28-2
(2-cyanophenyl)acetonitrile

: 18698-99-2
2-(2-cyanophenyl)acetic acid

Guidance literature:: With water; for 24h; Rhodococcus rhodochrous AJ₂₇₀;
DOI:10.1039/a700859g

Reference yield: 61.0%

: 201230-82-2
carbon monoxide

: 22115-41-9
2-(bromomethyl)benzonitrile

: 18698-99-2
2-(2-cyanophenyl)acetic acid

Guidance literature:: With cobalt(II) pyridine-2-carboxylate; palladium diacetate; sodium hydroxide; In methanol; at 150 ℃; for 6h; under 11251.1 Torr; Autoclave;