4-(Cyanomethyl)benzoic acid

Base Information Edit

Chemical Name:4-(Cyanomethyl)benzoic acid
CAS No.:50685-26-2
Molecular Formula:C9H7NO2
Molecular Weight:161.16
Hs Code.:2926909090
European Community (EC) Number:853-991-4
NSC Number:113990
DSSTox Substance ID:DTXSID60297095
Nikkaji Number:J609.491K
Wikidata:Q82038043
Mol file:50685-26-2.mol

Synonyms:4-(cyanomethyl)benzoic acid;50685-26-2;Benzoic acid, 4-(cyanomethyl)-;4-cyanomethylbenzoic acid;MFCD00020382;Benzoic acid,4-(cyanomethyl)-;NSC113990;4-cyanomethyl-benzoic acid;4-(Cyanomethyl)benzoicacid;4-(cyanomethyl) benzoic acid;SCHEMBL211305;DTXSID60297095;RSGBXCFAYHOKQZ-UHFFFAOYSA-N;CL9207;AKOS000102009;CS-W022012;NSC-113990;PS-3928;FT-0600266;EN300-119608;A828250;AE-562/43460634;J-650087;Z274531454

Suppliers and Price of 4-(Cyanomethyl)benzoic acid

Supply Marketing:Edit

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
4-(Cyanomethyl)benzoicacid
50mg
$ 55.00

SynQuest Laboratories
4-(Cyanomethyl)benzoic acid
5 g
$ 1112.00

SynQuest Laboratories
4-(Cyanomethyl)benzoic acid
100 mg
$ 55.00

SynQuest Laboratories
4-(Cyanomethyl)benzoic acid
1 g
$ 280.00

Matrix Scientific
4-(Cyanomethyl)benzoic acid 97%
1g
$ 405.00

Crysdot
4-(Cyanomethyl)benzoicacid 97%
5g
$ 396.00

Crysdot
4-(Cyanomethyl)benzoicacid 97%
25g
$ 1307.00

Chemenu
4-(Cyanomethyl)benzoicacid 95+%
25g
$ 1234.00

Chemenu
4-(Cyanomethyl)benzoicacid 95+%
1g
$ 102.00

Chemenu
4-(Cyanomethyl)benzoicacid 95+%
5g
$ 374.00

Total 40 raw suppliers

Chemical Property of 4-(Cyanomethyl)benzoic acid Edit

Chemical Property:

Vapor Pressure:7.34E-06mmHg at 25°C
Refractive Index:1.579
Boiling Point:361.6 °C at 760 mmHg
PKA:4.04±0.10(Predicted)
Flash Point:172.5 °C
PSA：61.09000
Density:1.257 g/cm³
LogP:1.45088
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:208

Purity/Quality:

99% ^*data from raw suppliers

4-(Cyanomethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CC#N)C(=O)O

Technology Process of 4-(Cyanomethyl)benzoic acid

There total 13 articles about 4-(Cyanomethyl)benzoic 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: 100.0%