2,5-Dibromoterephthalic acid

Base Information

• Chemical Name: 2,5-Dibromoterephthalic acid
• CAS No.: 13731-82-3
• Molecular Formula: C8H4 Br2 O4
• Molecular Weight: 323.925
• Hs Code.: 2915900090
• European Community (EC) Number: 237-300-8
• NSC Number: 115430
• UNII: 63JN659KM5
• DSSTox Substance ID: DTXSID4065600
• Nikkaji Number: J60.360K
• Wikidata: Q72465046
• Mol file: 13731-82-3.mol

Synonyms:Terephthalicacid, 2,5-dibromo- (6CI,7CI,8CI); 1,4-Dibromo-2,5-benzenedicarboxylic acid;2,5-Dibromo-4-carboxybenzoic acid; 2,5-Dibromoterephthalic acid; NSC 115430

Chemical Property of 2,5-Dibromoterephthalic acid

Chemical Property:

• Vapor Pressure: 1.06E-08mmHg at 25°C
• Melting Point: 315-318 ºC
• Boiling Point: 445ºC at 760 mmHg
• PKA: 1.75±0.10(Predicted)
• Flash Point: 222.9°C
• PSA: 74.60000
• Density: 2.205g/cm3
• LogP: 2.60800
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• 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:

99% ^*data from raw suppliers

2,5-Dibromoterephthalic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dibromoterephthalic acid

There total 12 articles about 2,5-Dibromoterephthalic 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: 96.0%

2,5-dibromo-p-xylene (1074-24-4) → 2,5-dibromoterephtalic acid (13731-82-3)

Guidance literature:

With pyridine; potassium permanganate; In water;

Reference yield: 94.0%

2,5-dibromo-4-methylbenzoic acid (20871-01-6) → 2,5-dibromoterephtalic acid (13731-82-3)

Guidance literature:

With potassium permanganate; sodium hydrogencarbonate; for 144h; Heating;

Reference yield:

para-xylene (106-42-3) → 2,5-dibromoterephtalic acid (13731-82-3)

Guidance literature:

Multi-step reaction with 3 steps

1: iodine; bromine / 10 - 15 °C

2: aqueous nitric acid

3: aqueous potassium carbonate; potassium permanganate

With potassium permanganate; bromine; iodine; nitric acid; potassium carbonate;

upstream raw materials:

2,5-dibromo-4-methylbenzoic acid

2,5-dibromobenzene-1,4-dinitrile

2,5-dibromo-p-xylene

nitric acid

Downstream raw materials:

2.5-bis(p-bromobenzoyl)-1,4-dibromobenzene

2,5-bis(p-iodobenzyl)-1,4-diiodobenzene

2,5-dibromobenzene-1,4-carboxamide

2,5-dibromobenzene-1,4-dinitrile

Refernces

• 1、 Jadhav, Manoj M.,Alswaidan, Ibrahim A.,Rhyman, Lydia,Ramasami, Ponnadurai,Sekar, Nagaiyan. "TD-DFT Investigation of 2,5-Bis(2-benzothiazolyl)hydroquinone and 2,5-Bis(benzo[d]thiazol-2-yl)-4-methoxyphenol". . p. 1005 - 1023. Retrieved 2017.
• 2、 Rodrigues, Ana Clara B.,Wetterling, Dario,Scherf, Ullrich,Seixas de Melo, J. Sérgio. "Tuning J-aggregate Formation and Emission Efficiency in Cationic Diazapentacenium Dyes". supporting information. p. 7826 - 7830. Retrieved 2021/05/07.
• 3、 Ning, Xiao-Shan,Liang, Xin,Hu, Kang-Fei,Yao, Chuan-Zhi,Qu, Jian-Ping,Kang, Yan-Biao. "Pd-tBuONO Cocatalyzed Aerobic Indole Synthesis". supporting information. p. 1590 - 1594. Retrieved 2018/04/30.