2,4-Dihydroxybenzonitrile

Base Information

• Chemical Name: 2,4-Dihydroxybenzonitrile
• CAS No.: 64419-24-5
• Molecular Formula: C7H5 N O2
• Molecular Weight: 135.122
• Hs Code.: 2926907090
• European Community (EC) Number: 264-886-2
• DSSTox Substance ID: DTXSID00982993
• Nikkaji Number: J307.226F
• Wikidata: Q72466498
• Mol file: 64419-24-5.mol

Synonyms:2,4-Dihydroxybenzonitrile;64419-24-5;EINECS 264-886-2;4-cyanoresorcinol;2,4dihydroxybenzonitrile;2,4-di-hydroxybenzonitrile;2,4-dihydroxy benzonitrile;2,4-dihydroxy-benzonitrile;SCHEMBL1267080;DTXSID00982993;JFZAJWBGISKERI-UHFFFAOYSA-N;MFCD02261931;AKOS015890757;AC-5287;CS-W018705;GS-3785;A8824;FT-0640944;C76016;EN300-301572;Z1255361029

Chemical Property of 2,4-Dihydroxybenzonitrile

Chemical Property:

• Vapor Pressure: 4.69E-05mmHg at 25°C
• Melting Point: 179 °C
• Refractive Index: 1.647
• Boiling Point: 339.4 °C at 760 mmHg
• PKA: 6.95±0.10(Predicted)
• Flash Point: 159.1 °C
• PSA: 64.25000
• Density: 1.42g/cm³
• LogP: 0.96948
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.032028402
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2,4-dihydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)C#N

Technology Process of 2,4-Dihydroxybenzonitrile

There total 12 articles about 2,4-Dihydroxybenzonitrile 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%

2,4-dihydroxyphenylaldoxime (5399-68-8) → 2,4-dihydroxybenzonitrile (64419-24-5)

Guidance literature:

With triethylamine; In acetonitrile; at 80 ℃; for 16h;

DOI:10.1080/00397911.2012.667861

Reference yield: 92.0%

4-cyano-1,3-phenylene diacetate (197571-05-4) → 2,4-dihydroxybenzonitrile (64419-24-5)

Guidance literature:

With water; sodium hydroxide; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmc.2015.01.003

Reference yield: 76.0%

potassium thioacyanate (333-20-0) + recorcinol (108-46-3) → 2,4-dihydroxybenzonitrile (64419-24-5)

Guidance literature:

With silica sulfuric acid; In neat (no solvent, solid phase); at 100 ℃; for 12h; regioselective reaction;

DOI:10.1021/acs.joc.8b02191

upstream raw materials:

6-acetoxy-benzo[d]isoxazole

4-cyano-1,3-phenylene diacetate

2,4-dihydroxyphenylaldoxime

2,4-Dihydroxybenzaldehyde

Downstream raw materials:

4-cyano-1,3-phenylene diacetate

(R)-2-(2,4-dihydroxy-phenyl)-4,5-dihydro-thiazole-4-carboxylic acid

2,6-Dihydroxy-3-(2,2,2-trifluoro-acetyl)-benzonitrile

2,4-Dihydroxybenzimidsaeureethylesterhydrochlorid