3,5-Dichlorobenzamide

Base Information

• Chemical Name: 3,5-Dichlorobenzamide
• CAS No.: 5980-23-4
• Molecular Formula: C7H5Cl2NO
• Molecular Weight: 190.029
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30208537
• Wikidata: Q83082650
• Mol file: 5980-23-4.mol

Synonyms:3,5-DICHLOROBENZAMIDE;5980-23-4;Benzamide, 3,5-dichloro-;3,5-dichloro-benzamide;SCHEMBL349820;3,5-DICHLORO BENZAMIDE;DTXSID30208537;MFCD00057644;AKOS003519184;GS-0040;PS-3143;CS-0206081;FT-0614553;E82458;A832474

Chemical Property of 3,5-Dichlorobenzamide

Chemical Property:

• Vapor Pressure: 0.00984mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.596
• Boiling Point: 264.2 °C at 760 mmHg
• PKA: 14.82±0.50(Predicted)
• Flash Point: 113.6 °C
• PSA: 43.09000
• Density: 1.439 g/cm³
• LogP: 2.79260
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.9748192
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichlorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)N

Technology Process of 3,5-Dichlorobenzamide

There total 6 articles about 3,5-Dichlorobenzamide 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: 85.0%

3,5-dichlorobenzonitrile (6575-00-4) → 3,5-dichlorobenzamide (5980-23-4)

Guidance literature:

With sodium perborate; water; In methanol; at 50 ℃;

DOI:10.1016/S0040-4020(01)81008-5

Reference yield: 71.7%

3,5-dichlorobenzyl alcohol (60211-57-6) → 3,5-dichlorobenzonitrile (6575-00-4) + 3,5-dichlorobenzamide (5980-23-4)

Guidance literature:

With ammonia; oxygen; In tert-Amyl alcohol; water; at 100 ℃; for 3h; under 3750.38 Torr; Overall yield = > 99 percent; Autoclave; High pressure;

DOI:10.1021/acscatal.0c00485

Reference yield: 70.0%

C13H10Cl2N2 + benzyl alcohol (100-51-6,185532-71-2) → N-Benzylaniline (758640-21-0,103-32-2) + 3,5-dichlorobenzamide (5980-23-4)

Guidance literature:

With potassium hydroxide; In toluene; at 120 ℃; for 15h; Schlenk technique; Glovebox; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.0c00281

upstream raw materials:

3,5-dichlorobenzonitrile

formic acid

1,3-Dichlorobenzene

benzyl alcohol

Downstream raw materials:

3,5-Dichloroaniline

3,5-diaminobenzamide

methyl (3,5-dichlorophenyl)carbamate