4,5-Dibromophthalic acid

Base Information

• Chemical Name: 4,5-Dibromophthalic acid
• CAS No.: 24063-28-3
• Molecular Formula: C8H4Br2O4
• Molecular Weight: 323.925
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID10505930
• Nikkaji Number: J88.229A
• Wikidata: Q82361383
• Mol file: 24063-28-3.mol

Synonyms:4,5-Dibromophthalic acid;24063-28-3;MFCD00623825;C8H4Br2O4;4,5-dibromobenzene-1,2-dicarboxylic acid;SCHEMBL4626489;YSZC2006;DTXSID10505930;ZAA06328;AKOS015890810;DS-11940;SY110278;CS-0157857;3,5-DIMETHYLBIPHENYL-3-CARBOXYLICACID;A918885

Chemical Property of 4,5-Dibromophthalic acid

Chemical Property:

• Vapor Pressure: 8.23E-09mmHg at 25°C
• Melting Point: 203.5-205.5 °C
• Boiling Point: 448oC at 760 mmHg
• PKA: 2.33±0.10(Predicted)
• Flash Point: 224.7oC
• PSA: 74.60000
• Density: 2.205g/cm3
• LogP: 2.60800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 323.84558
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

98.5% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Br)Br)C(=O)O)C(=O)O

Technology Process of 4,5-Dibromophthalic acid

There total 12 articles about 4,5-Dibromophthalic acid 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: 90.0%

1,2-dibromo-4,5-dimethylbenzene (24932-48-7) → 4,5-dibromophthalic acid (24063-28-3)

Guidance literature:

With potassium permanganate; In water;

Reference yield:

4,4',5',4''-tetrabromo-o-terphenyl (857545-30-3) + acetic acid (64-19-7,77671-22-8) → 4-Bromobenzoic acid (586-76-5) + 4,5-dibromophthalic acid (24063-28-3)

Guidance literature:

DOI:10.1021/ja01263a033

Reference yield:

phthalic anhydride (85-44-9) → 4,5-dibromophthalic acid (24063-28-3)

Guidance literature:

With sulfuric acid; bromine; Erhitzen auf 200grad und Eingiessen des erkalteten Produktes in Wasser;

upstream raw materials:

phthalic anhydride

1,2-dibromo-4,5-dimethylbenzene

2,3,4,6,7-pentabromo-[1]naphthol

1,4,6,7-tetrabromonaphthalene-2,3-diol

Downstream raw materials:

4,5-dibromophthalic anhydride

4,5-dibromophthalimide

5,6-dibromo-2-((R)-1-phenylethyl)isoindoline-1,3-dione

Refernces

• 1、 Matsushita, Osamu,Derkacheva, Valentina M.,Muranaka, Atsuya,Shimizu, Soji,Uchiyama, Masanobu,Luk'yanets, Evgeny A.,Kobayashi, Nagao. "Rectangular-shaped expanded phthalocyanines with two central metal atoms". . p. 3411 - 3418. Retrieved 2012.
• 2、 Ojala, Charles R.,Ojala, William H.,Britton, Doyle,Gougoutas. "Packing similarities of three isosteric molecules: 4,5-Dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide". . p. 530 - 542. Retrieved 1999.
• 3、 Zapico, Jose Maria,Acosta, Lourdes,Pastor, Miryam,Rangasamy, Loganathan,Marquez-Cantudo, Laura,Coderch, Claire,Ortin, Irene,Nicolau-Sanus, Maria,Puchades-Carrasco, Leonor,Pineda-Lucena, Antonio,Majali-Martinez, Alejandro,Ramos, Pilar,de Pascual-Teresa, Beatriz,Ramos, Ana. "Design and synthesis of water-soluble and potent mmp-13 inhibitors with activity in human osteosarcoma cells". . . Retrieved 2021/09/18.