5-Cyano-2-fluorobenzoic acid

Base Information

Chemical Name:5-Cyano-2-fluorobenzoic acid
CAS No.:146328-87-2
Molecular Formula:C8H4FNO2
Molecular Weight:165.124
Hs Code.:2926909090
European Community (EC) Number:630-181-7
DSSTox Substance ID:DTXSID00380950
Wikidata:Q82171458
Mol file:146328-87-2.mol

Synonyms:5-cyano-2-fluorobenzoic acid;146328-87-2;5-cyano-2-fluoro-benzoic Acid;BENZOIC ACID, 5-CYANO-2-FLUORO-;5-CYANO-2-FLUOROBENZOICACID;2-Fluoro-5-cyanobenzoic acid;SCHEMBL284291;DTXSID00380950;UQXVUTYCTZULCD-UHFFFAOYSA-N;MFCD03094321;AKOS005063901;CS-W022368;PS-6742;FT-0655697;A19984;EN300-246018;J-517429;Z1255461823

Suppliers and Price of 5-Cyano-2-fluorobenzoic 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
5-Cyano-2-fluorobenzoicAcid
5g
$ 155.00

TRC
5-Cyano-2-fluorobenzoicAcid
1g
$ 45.00

SynQuest Laboratories
5-Cyano-2-fluorobenzoic acid 98%
100 g
$ 395.00

SynQuest Laboratories
5-Cyano-2-fluorobenzoic acid 98%
5 g
$ 35.00

SynQuest Laboratories
5-Cyano-2-fluorobenzoic acid 98%
25 g
$ 120.00

SynQuest Laboratories
5-Cyano-2-fluorobenzoic acid 98%
1 g
$ 15.00

Labseeker
5-CYANO-2-FLUOROBENZOICACID 98
5g
$ 323.00

Chemenu
5-Cyano-2-fluorobenzoicacid 95+%
100g
$ 561.00

Biosynth Carbosynth
5-Cyano-2-fluorobenzoic acid
100 g
$ 363.00

Biosynth Carbosynth
5-Cyano-2-fluorobenzoic acid
50 g
$ 230.00

Total 30 raw suppliers

Chemical Property of 5-Cyano-2-fluorobenzoic acid

Chemical Property:

Boiling Point:322.066 °C at 760 mmHg
PKA:2.71±0.10(Predicted)
Flash Point:148.58 °C
PSA：61.09000
Density:1.425 g/cm³
LogP:1.39558
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:165.02260653
Heavy Atom Count:12
Complexity:233

Purity/Quality:

98% ^*data from raw suppliers

5-Cyano-2-fluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)C(=O)O)F

Technology Process of 5-Cyano-2-fluorobenzoic acid

There total 6 articles about 5-Cyano-2-fluorobenzoic 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: 98.0%

: 337362-21-7
methyl 5-cyano-2-fluorobenzoate

: 146328-87-2
2-fluoro-5-cyanobenzoic acid

Guidance literature:: methyl 5-cyano-2-fluorobenzoate; With water; potassium hydroxide; In ethanol; at 45 ℃;

With hydrogenchloride; In water; ethyl acetate;

Reference yield: 90.0%

: 146137-79-3
4-fluoro-3-formylbenzonitrile

: 146328-87-2
2-fluoro-5-cyanobenzoic acid

Guidance literature:: With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetonitrile; at 0 - 20 ℃; for 1h;

Reference yield: 57.0%

: 124-38-9,18923-20-1
carbon dioxide

: 79630-23-2
3-bromo-4-fluorobenzonitrile

: 146328-87-2
2-fluoro-5-cyanobenzoic acid

Guidance literature:: 3-bromo-4-fluorobenzonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃;
DOI:10.1055/a-1384-0159