611-00-7

Basic information

• Product Name: 2,4-DIBROMOBENZOIC ACID
• Synonyms: 2,4-DIBROMOBENZOIC ACID
• CAS NO: 611-00-7
• Molecular Formula: C₇H₄Br₂O₂
• Molecular Weight: 279.91
• EINECS: 210-245-7
• Product Categories: Pharmaceutical Intermediates;Benzoic acid;Acids & Esters;Bromine Compounds;intermediate
• Mol File: 611-00-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 171.0 to 175.0 °C
• Boiling Point: 336.555 °C at 760 mmHg
• Flash Point: 157.343 °C
• Appearance: phyllodes yellow powder or crystal
• Density: 1.9661 (rough estimate)
• Vapor Pressure: 4.36E-05mmHg at 25°C
• Refractive Index: 1.4970 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 2.62±0.10(Predicted)
• CAS DataBase Reference: 2,4-DIBROMOBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-DIBROMOBENZOIC ACID(611-00-7)
• EPA Substance Registry System: 2,4-DIBROMOBENZOIC ACID(611-00-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37
• Hazardous Substances Data: 611-00-7(Hazardous Substances Data)

Usage

General Description

2,4-Dibromobenzoic acid is a chemical compound with the molecular formula C7H4Br2O2. It is a white crystalline solid, and it is classified as a derivative of benzoic acid. 2,4-Dibromobenzoic acid is used in the synthesis of various pharmaceuticals and agricultural chemicals. It is also used as an intermediate in the production of dyes and other organic compounds. In addition, it is a useful building block for the development of new materials and chemical processes. 2,4-Dibromobenzoic acid is considered to be relatively stable under normal conditions, but it should be handled with care due to its potential to cause skin and eye irritation.

InChI:InChI=1/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

Upstream product

• 56-23-5 tetrachloromethane 
• 64-17-5 ethanol 
• 29798-82-1 2,4,7-tribromotropone 
• 33243-33-3 2,4-dibromoacetophenone 
• 6311-60-0 3,5-dibromonitrobenzene 
• 31543-75-6 2,4-dibromotoluene 
• 7697-37-2 nitric acid 
• 650598-46-2 (2,6-dibromophenyl)triethylsilane 
• 722540-83-2 (2,4,6-tribromophenyl)triethylsilane 
• 124-38-9 carbon dioxide 
• 615-54-3 1,2,4-tribromobenzene 
• 67643-51-0 2,4-dibromo-5-methylaniline 
• 39478-78-9 5-bromo-2-methylaniline 
• 95-46-5 2-methylphenyl bromide 

Downstream Products

• 129459-86-5 C₂₆H₁₆Br₄O₄Si 
• 500286-36-2 3-bromo-9H-xanthene-9-one 
• 54335-33-0 methyl 2,4-dibromobenzoate 
• 1353101-75-3 2-[5-bromo-2-(hydroxymethyl)phenyl]ethanol 

Relevant articles and documents

Reaction mechanism for the LiCl-mediated directed zinc insertion: A computational and experimental study

An experimental/computational study on the LiCI-mediated zinc insertion, and the questions of the generation mechanism of Li ion ZnRCIHal, the role of LiCI, and the origin of the regioselectivity in the reaction has been demonstrated. The acceleration of Zn insertion by LiC1 was thermodynamically and kinetically confirmed. The exchange of electrons occurs exclusively among the three atoms, and the charges of the Li and the Cl atoms remain essentially constant during the reaction, indicating that LiCI does not participate in any oxidation/reduction process. The origin of the LiCI effect was investigated by natural bond orbital (NBO) analysis. Origin of the directed oct/to selectivity of the zinc insertion reaction. The theoretical analysis delineated above further advances the understanding of recent zinc insertion chemistry and should contribute to rational design for efficient preparation of functionalized aryl zinc reagents and its application to useful synthetic transformations.

Substitution effect on the regioselective halogen/metal exchange of 3-substituted 1,2,5-tribromobenzenes

Regioselective halogen/metal exchange reactions using isopropylmagnesium chloride were studied on 3-substituted 1,2,5-tribromoarenes. Seven examples are given.

ANTITUMOR BENZOYLSULFONAMIDES

The present invention provides antitumor compounds of the formula (I); and antitumor methods.