4,5-Dichlorophthalamide

Base Information

• Chemical Name: 4,5-Dichlorophthalamide
• CAS No.: 147699-62-5
• Molecular Formula: C8H6 Cl2 N2 O2
• Molecular Weight: 233.054
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50350845
• Wikidata: Q82126942
• ChEMBL ID: CHEMBL442682
• Mol file: 147699-62-5.mol

Synonyms:4,5-Dichlorophthalamide;147699-62-5;4,5-dichlorobenzene-1,2-dicarboxamide;Maybridge4_001922;CHEMBL442682;SCHEMBL2502851;4,5-Dichlorophthalamide, 97%;DTXSID50350845;HMS1526H08;CCG-49436;AKOS016010504;Benzenepropanoic acid, 3-ethoxy-.alpha.-oxo-;J-008392;SR-01000638888-1;BRD-K73647500-001-01-8;BRD-K73647500-001-02-6;InChI=1/C8H6Cl2N2O2/c9-5-1-3(7(11)13)4(8(12)14)2-6(5)10/h1-2H,(H2,11,13)(H2,12,14

Chemical Property of 4,5-Dichlorophthalamide

Chemical Property:

• Vapor Pressure: 0.000132mmHg at 25°C
• Melting Point: 240 °C (dec.)(lit.)
• Refractive Index: 1.634
• Boiling Point: 334°C at 760 mmHg
• PKA: 14.44±0.50(Predicted)
• Flash Point: 155.8°C
• PSA: 86.18000
• Density: 1.546g/cm³
• LogP: 2.59180
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.9806328
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

4,5-Dichlorophthalamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5-Dichlorophthalamide

There total 3 articles about 4,5-Dichlorophthalamide 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: 96.0%

4,5-dichlorophthalimide (15997-89-4) → 4,5-dichloro-1,2-benzenedicarboxamide (147699-62-5)

Guidance literature:

With ammonia;

Reference yield:

4,5-dichlorophthalic acid (56962-08-4) → 4,5-dichloro-1,2-benzenedicarboxamide (147699-62-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / acetic anhydride / 5 h / Heating

2: 98 percent / formamide / 3 h / Heating

3: 72 percent / 25-33percent NH₄OH / 48 h / Ambient temperature

With ammonium hydroxide; acetic anhydride; formamide;

Reference yield:

4,5-dichlorophthalic anhydride (942-06-3) → 4,5-dichloro-1,2-benzenedicarboxamide (147699-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / formamide / 3 h / Heating

2: 72 percent / 25-33percent NH₄OH / 48 h / Ambient temperature

With ammonium hydroxide; formamide;

upstream raw materials:

4,5-dichlorophthalimide

4,5-dichlorophthalic anhydride

4,5-dichlorophthalic acid

Downstream raw materials:

1,2-bis(S-benzylthio)-4,5-dicyanobenzene

4,5-disulfanylbenzene-1,2-dicarbonitrile

5,6-dichloroisoindoline

dimethyl 4,4'-((4,5-dicyano-1,2-phenylene)bis(oxy))dibenzoate

Refernces

• 1、 Roy, Indranil,Shetty, Dinesh,Hota, Raghunandan,Baek, Kangkyun,Kim, Jeesu,Kim, Chulhong,Kappert, Sandro,Kim, Kimoon. "A Multifunctional Subphthalocyanine Nanosphere for Targeting, Labeling, and Killing of Antibiotic-Resistant Bacteria". supporting information. p. 15152 - 15155. Retrieved 2016/01/25.
• 2、 -. "Phthalocyanines". . . Retrieved 2008/06/13.