2,4-Dibromobenzoic acid

Base Information

• Chemical Name: 2,4-Dibromobenzoic acid
• CAS No.: 611-00-7
• Molecular Formula: C7H4Br2O2
• Molecular Weight: 279.916
• Hs Code.: 29163990
• European Community (EC) Number: 210-245-7
• UNII: VN4H7899AA
• DSSTox Substance ID: DTXSID60209971
• Nikkaji Number: J79.729D
• Wikidata: Q72463875
• Mol file: 611-00-7.mol

Synonyms:2,4-DIBROMOBENZOIC ACID;611-00-7;Benzoic acid, 2,4-dibromo-;EINECS 210-245-7;MFCD00234253;VN4H7899AA;2,4-Dibromobenzoicacid;2,4-Dibrom-benzoesaure;2,4-dibromo-benzoic acid;UNII-VN4H7899AA;SCHEMBL2780747;DTXSID60209971;BBL101197;CL8011;STL554993;AKOS005257271;AB05197;AC-1770;AM83988;CS-W010056;GS-4069;SY022642;A8488;D4278;FT-0600214;EN300-90652;J-507104;Z1259341990

Chemical Property of 2,4-Dibromobenzoic acid

Chemical Property:

• Appearance/Colour: phyllodes yellow powder or crystal
• Vapor Pressure: 4.36E-05mmHg at 25°C
• Melting Point: 174 °C
• Refractive Index: 1.642
• Boiling Point: 336.555 °C at 760 mmHg
• PKA: 2.62±0.10(Predicted)
• Flash Point: 157.343 °C
• PSA: 37.30000
• Density: 2.083 g/cm³
• LogP: 2.90980
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.85576
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dibromobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dibromobenzoic acid

There total 26 articles about 2,4-Dibromobenzoic 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: 92.0%

2,4,6-tribromobenzoic acid (633-12-5) → 2,4-dibromobenzoic acid (611-00-7)

Guidance literature:

With n-butyllithium; butyl magnesium bromide; In tetrahydrofuran; hexane; toluene; at 0 ℃; for 0.75h;

DOI:10.1002/ejoc.200300355

Reference yield: 91.0%

carbon dioxide (124-38-9,18923-20-1) + 2,4-dibromo-1-iodo-benzene (19393-94-3) → 2,4-dibromobenzoic acid (611-00-7)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; at -100 ℃; for 0.25h;

DOI:10.1002/ejoc.200300355

Reference yield: 82.0%

2,4-dibromoacetophenone (33243-33-3) → 2,4-dibromobenzoic acid (611-00-7)

Guidance literature:

With potassium permanganate; sodium hydroxide; In water; at 143 - 155 ℃; for 5h;

DOI:10.3390/molecules15085561

upstream raw materials:

tetrachloromethane

ethanol

2,4,7-tribromotropone

2,4-dibromoacetophenone

Downstream raw materials:

2-phenoxy-4-bromobenzoic acid

2,4-dibromobenzoyl chloride

C₂₆H₁₆Br₄O₄Si

2-amino-4-bromobenzoic acid

Refernces

• 1、 Liu, Ching-Yuan,Wang, Xuan,Furuyama, Taniyuki,Yasuike, Shuji,Muranaka, Atsuya,Morokuma, Keiji,Uchiyama, Masanobu. "Reaction mechanism for the LiCl-mediated directed zinc insertion: A computational and experimental study". supporting information; experimental part. p. 1780 - 1784. Retrieved 2010/06/19.
• 2、 Lobb, Karen L.,Hipskind, Philip A.,Aikins, James A.,Alvarez, Enrique,Cheung, Yiu-Yin,Considine, Eileen L.,De Dios, Alfonso,Durst, Gregory L.,Ferritto, Rafael,Grossman, Cora Sue,Giera, Deborah D.,Hollister, Beth A.,Huang, Zhongping,Iversen, Philip W.,Law, Kevin L.,Li, Tiechao,Lin, Ho-Shen,Lopez, Beatriz,Lopez, Jose E.,Martin Cabrejas, Luisa M.,McCann, Denis J.,Molero, Victoriano,Reilly, John E.,Richett, Michael E.,Shih, Chuan,Teicher, Beverly,Wikel, James H.,White, Wesley T.,Mader, Mary M.. "Acyl sulfonamide anti-proliferatives: Benzene substituent structure-activity relationships for a novel class of antitumor agents". . p. 5367 - 5380. Retrieved 2007/10/03.