3-Cyano-4-methylbenzoic acid

Base Information

Chemical Name:3-Cyano-4-methylbenzoic acid
CAS No.:138642-93-0
Molecular Formula:C9H7NO2
Molecular Weight:161.15700
Hs Code.:2926907090
European Community (EC) Number:828-966-6
Nikkaji Number:J612.087C
Mol file:138642-93-0.mol

Synonyms:3-cyano-4-methylbenzoic acid;138642-93-0;3-cyano-4-methylbenzoicacid;SCHEMBL3959215;MFCD00045859;AKOS016352853;NS-01259;E89360;EN300-189536;F8886-7653;Z1255360522

Suppliers and Price of 3-Cyano-4-methylbenzoic 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-Cyano-4-methylbenzoicacid
25mg
$ 130.00

Alichem
3-Cyano-4-methylbenzoicacid
1g
$ 1519.80

Alichem
3-Cyano-4-methylbenzoicacid
500mg
$ 847.60

Alichem
3-Cyano-4-methylbenzoicacid
250mg
$ 470.40

AK Scientific
3-Cyano-4-methylbenzoicacid
100mg
$ 222.00

AHH
3-cyano-4-methylbenzoicacid 97%
1g
$ 960.00

Total 7 raw suppliers

Chemical Property of 3-Cyano-4-methylbenzoic acid

Chemical Property:

Boiling Point:346.1±30.0 °C(Predicted)
PSA：61.09000
Density:1.26±0.1 g/cm3(Predicted)
LogP:1.56488
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:228

Purity/Quality:

97% ^*data from raw suppliers

3-Cyano-4-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(=O)O)C#N

Technology Process of 3-Cyano-4-methylbenzoic acid

There total 5 articles about 3-Cyano-4-methylbenzoic 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:

: 82998-57-0
3-iodo-4-toluic acid

: 544-92-3
copper(I) cyanide

: 138642-93-0
3-cyano-4-methylbenzoic acid

Guidance literature:: In N,N-dimethyl-formamide; at 100 ℃; for 20h;

Reference yield:

: 82998-57-0
3-iodo-4-toluic acid

: copper(l) cyanide

: 138642-93-0
3-cyano-4-methylbenzoic acid

Guidance literature:: In N,N-dimethyl-formamide; at 100 ℃; for 20h;

Reference yield:

: 1943-88-0
2,4-dicyanotoluene

: 1975-54-8
3-cyano-6-methylbenzoic acid

: 138642-93-0
3-cyano-4-methylbenzoic acid

Guidance literature:: at 30 ℃; for 183h; Product distribution; phosphate buffer pH 7.0, nitrilase SP 361; regioselective enzymic hydrolysis of aromatic dinitriles;