2,5-Dichlorobenzoyl cyanide

Base Information

• Chemical Name: 2,5-Dichlorobenzoyl cyanide
• CAS No.: 64985-85-9
• Molecular Formula: C8H3Cl2NO
• Molecular Weight: 200.024
• Hs Code.: 2926909090
• European Community (EC) Number: 265-298-9
• DSSTox Substance ID: DTXSID20983543
• Nikkaji Number: J286.619F
• Wikidata: Q72465583
• Mol file: 64985-85-9.mol

Synonyms:2,5-dichlorobenzoyl cyanide;64985-85-9;(2,5-Dichlorophenyl)oxoacetonitrile;C8H3Cl2NO;EINECS 265-298-9;2,5-Dichlorobenzoylcyanide;SCHEMBL5666049;DTXSID20983543;MFCD09263703;2,5-Dichlorobenzene-1-carbonyl cyanide;2,5-Dichloro-alpha-oxo-benzeneacetonitrile;FT-0690258;EN300-659024;Benzeneacetonitrile, 2,5-dichloro-.alpha.-oxo-;W-104811

Chemical Property of 2,5-Dichlorobenzoyl cyanide

Chemical Property:

• Vapor Pressure: 0.000903mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 303.9 ºC at 760 mmHg
• Flash Point: 137.6ºC
• PSA: 40.86000
• Density: 1.446 g/cm³
• LogP: 2.69968
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.9591691
• Heavy Atom Count: 12
• Complexity: 233

Purity/Quality:

98% ^*data from raw suppliers

2,5-DichlorobenzoylCyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)C#N)Cl
• Uses: 2,5-Dichlorobenzoyl Cyanide is a reagent applied for research purposes

Technology Process of 2,5-Dichlorobenzoyl cyanide

There total 5 articles about 2,5-Dichlorobenzoyl cyanide 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:

2,5-dichlorobenzoyl fluoride (80277-49-2) → (2,5-dichlorophenyl)oxoacetonitrile (64985-85-9) + sodium fluoride

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield:

2,5-dichlorobenzoyl chloride (2905-61-5) → (2,5-dichlorophenyl)oxoacetonitrile (64985-85-9)

Guidance literature:

Reference yield:

2,5-dichloro-benzoic acid anhydride (18127-79-2) → (2,5-dichlorophenyl)oxoacetonitrile (64985-85-9)

Guidance literature:

upstream raw materials:

2,5-dichlorobenzoyl chloride

2,5-dichlorobenzoyl fluoride

2,5-dichloro-benzoic acid anhydride

2,5-dichlorobenzoic acid

Refernces

• 1、 -. "Process for the preparation of acyl cyanides". . . Retrieved 2008/06/13.
• 2、 -. "Process for the preparation of acyl cyanides". . . Retrieved 2008/06/13.