3,5-Dibromo-2-hydroxybenzonitrile

Base Information

• Chemical Name: 3,5-Dibromo-2-hydroxybenzonitrile
• CAS No.: 40718-08-9
• Molecular Formula: C7H3Br2NO
• Molecular Weight: 276.915
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10382041
• Nikkaji Number: J1.047.078A
• Wikidata: Q82173325
• Mol file: 40718-08-9.mol

Synonyms:3,5-dibromo-2-hydroxybenzonitrile;40718-08-9;SCHEMBL1423613;DTXSID10382041;IZOWHVRXNOVUGY-UHFFFAOYSA-N;MFCD00662354;STL582468;AKOS022176074;AS-43464;CS-0217270;FT-0693403;EN300-725117;Z1269123067

Chemical Property of 3,5-Dibromo-2-hydroxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Boiling Point: 275.4°C at 760 mmHg
• Flash Point: 120.4°C
• PSA: 44.02000
• Density: 2.24g/cm³
• LogP: 2.78888
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.85609
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Dibromo-2-hydroxybenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C#N)O)Br)Br

Technology Process of 3,5-Dibromo-2-hydroxybenzonitrile

There total 11 articles about 3,5-Dibromo-2-hydroxybenzonitrile 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: 92.0%

(E)-3,5-dibromo-2-hydroxybenzaldehyde oxime (21386-43-6) → 3,5-dibromo-2-hydroxybenzonitrile (40718-08-9)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/jo502396u

Reference yield:

salicylonitrile (611-20-1) → 5-bromo-2-hydroxybenzonitrile (40530-18-5) + 3,5-dibromo-2-hydroxybenzonitrile (40718-08-9) + 3-bromo-2-hydroxybenzonitrile (13073-28-4)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; for 3.5h; Ambient temperature;

DOI:10.1021/jo9622993

Reference yield:

salicylonitrile (611-20-1) → 3,5-dibromo-2-hydroxybenzonitrile (40718-08-9) + 3-bromo-2-hydroxybenzonitrile (13073-28-4)

Guidance literature:

With N-Bromosuccinimide; diisopropylamine; In toluene; at 70 ℃; for 6h; Inert atmosphere;

upstream raw materials:

salicylonitrile

bromine

(E)-3,5-dibromo-2-hydroxybenzaldehyde oxime

3,5-Dibromosalicylaldehyde

Downstream raw materials:

3,5-dibromo-2-hydroxybenzamide

2,4-dibromo-6-((2-nitrobenzamido)methyl)phenyl 2-chlorobenzoate

Refernces

• 1、 -. "DI-SUBSTITUTED PHENYL COMPOUNDS". Page/Page column 54. . Retrieved 2010/01/30.