5-Cyano-2-hydroxybenzoic acid

Base Information

• Chemical Name: 5-Cyano-2-hydroxybenzoic acid
• CAS No.: 10435-57-1
• Molecular Formula: C8H5NO3
• Molecular Weight: 163.133
• Hs Code.: 2916399090
• European Community (EC) Number: 958-881-0
• DSSTox Substance ID: DTXSID60515600
• Nikkaji Number: J1.245.217I
• Wikidata: Q82376550
• Mol file: 10435-57-1.mol

Synonyms:5-CYANO-2-HYDROXYBENZOIC ACID;10435-57-1;5-Cyanosalicylic acid;Benzoic acid, 5-cyano-2-hydroxy-;5-cyano-salicylic acid;5-cyano salicylic acid;SCHEMBL131551;2-hydroxy-5-cyanobenzoic acid;DTXSID60515600;XUNYRQCTAPBWCF-UHFFFAOYSA-N;5-CYANO-2-HYDROXYBENZOICACID;AKOS022636503;MB25595;CS-0373267;FT-0705900;E84646;EN300-180726;Z1255393347

Chemical Property of 5-Cyano-2-hydroxybenzoic acid

Chemical Property:

• Boiling Point: 377.5±37.0 °C(Predicted)
• PKA: 2.35±0.10(Predicted)
• PSA: 81.32000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 0.96208
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Cyano-2-hydroxybenzoicAcid ^*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)O

Technology Process of 5-Cyano-2-hydroxybenzoic acid

There total 11 articles about 5-Cyano-2-hydroxybenzoic 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%

2-benzyloxy-5-cyanobenzoic acid benzyl ester (179256-31-6) → 5-cyano-2-hydroxybenzoic acid (10435-57-1)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In tetrahydrofuran; ethanol; at 20 ℃; for 2h;

Reference yield: 99.0%

2-hydroxy-5-formylbenzoic acid (616-76-2) → 5-cyano-2-hydroxybenzoic acid (10435-57-1)

Guidance literature:

With formic acid; hydroxyammonium sulfate; sodium formate; at 80 ℃; for 6h;

Reference yield: 81.0%

methyl 5-cyanosalicylate (84437-12-7) → 5-cyano-2-hydroxybenzoic acid (10435-57-1)

Guidance literature:

methyl 5-cyanosalicylate; With methanol; lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 20h;

With hydrogenchloride; In water; pH=3;

upstream raw materials:

5-bromosalicyclic acid

copper(I) cyanide

2-hydroxy-5-iodobenzoic acid

2-benzyloxy-5-cyanobenzoic acid benzyl ester

Downstream raw materials:

5-cyano-2-hydroxy-N-(1⁽²⁾H-tetrazol-5-yl)-benzamide

2-Hydroxy-5-methoxycarbonimidoyl-benzoic acid; hydrochloride

N-[3-Chloro-4-(4-chloro-phenoxy)-phenyl]-5-cyano-2-hydroxy-benzamide

5-Carbamimidoyl-2-hydroxy-benzoic acid