2,3-Dihydroxybenzonitrile

Base Information

• Chemical Name: 2,3-Dihydroxybenzonitrile
• CAS No.: 67984-81-0
• Molecular Formula: C7H5 N O2
• Molecular Weight: 135.122
• Hs Code.: 2926909090
• European Community (EC) Number: 268-005-2
• DSSTox Substance ID: DTXSID30987390
• Nikkaji Number: J287.755D
• Wikidata: Q72466503
• Mol file: 67984-81-0.mol

Synonyms:2,3-Dihydroxybenzonitrile;67984-81-0;EINECS 268-005-2;2,3-bis(oxidanyl)benzenecarbonitrile;MFCD02261930;3-Cyanocatechol;2,3-dihydroxy benzonitrile;SCHEMBL491433;DTXSID30987390;XHPDHXXZBWDFIB-UHFFFAOYSA-N;AMY14259;STL122195;AKOS005174812;CS-W018729;AC-26475;DS-17436;BB 0258453;FT-0652989;A835952;2-(3-Chlorophenyl)-1,3-thiazole-4-carboxylicacid;A1-00109;J-507025;P3K

Chemical Property of 2,3-Dihydroxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.000461mmHg at 25°C
• Melting Point: 192-193 °C
• Boiling Point: 305.2°C at 760 mmHg
• PKA: 7.00±0.10(Predicted)
• Flash Point: 138.4°C
• PSA: 64.25000
• Density: 1.42g/cm³
• LogP: 0.96948
• Storage Temp.: Sealed in dry,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:

99.3% ^*data from raw suppliers

2,3-Dihydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dihydroxybenzonitrile

There total 12 articles about 2,3-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: 84.0%

2,3-dimethoxybenzonitrile (5653-62-3) → 2,3-dihydroxybenzonitrile (67984-81-0)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1021/jm049306x

Reference yield: 84.0%

2H-benzo[d]1,3-dioxolane-4-carbaldehyde (7797-83-3) → 2,3-dihydroxybenzonitrile (67984-81-0)

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; sodium hexamethyldisilazane; In tetrahydrofuran; at 185 ℃; for 12h;

DOI:10.1002/ejoc.200600134

Reference yield: 68.0%

2,3-dihydroxybenzaldehyde (24677-78-9) → 2,3-dihydroxybenzonitrile (67984-81-0)

Guidance literature:

With formic acid; hydroxylamine hydrochloride; sodium formate;

DOI:10.1248/cpb.58.1552

upstream raw materials:

2,3-dihydroxybenzaldehyde oxime

acetic anhydride

benzonitrile

2,3-dimethoxybenzonitrile

Downstream raw materials:

(S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-4-methyl-4-thiazolecarboxylic acid

5-formyl-2,3-dihydroxybenzonitrile

2-hydroxy-3-(3,6,9-trioxadecyloxy)benzonitrile

C₈H₉NO₃