21739-99-1

Basic information

• Product Name: Benzoic acid, 2,3,6-tribroMo-
• Synonyms: Benzoic acid, 2,3,6-tribroMo-;IUCILSOWKNCUOC-UHFFFAOYSA-N
• CAS NO: 21739-99-1
• Molecular Formula: C₇H₃Br₃O₂
• Molecular Weight: 358.80952
• Mol File: 21739-99-1.mol

Chemical Properties

• Boiling Point: 381.3±42.0 °C(Predicted)
• Appearance: /
• Density: 2.383±0.06 g/cm3(Predicted)
• PKA: 1.11±0.10(Predicted)
• CAS DataBase Reference: Benzoic acid, 2,3,6-tribroMo-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2,3,6-tribroMo-(21739-99-1)
• EPA Substance Registry System: Benzoic acid, 2,3,6-tribroMo-(21739-99-1)

Safety Data

• Hazardous Substances Data: 21739-99-1(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Benzoic acid, 2,3,6-tribromo, is used as a reagent in organic synthesis for its unique chemical structure and properties. It serves as a valuable building block in the production of various pharmaceuticals and organic compounds.
Used in Pharmaceutical Industry:
Benzoic acid, 2,3,6-tribromo, is used as a pharmaceutical intermediate due to its potential in the development of new drugs and therapeutic agents.
Used in Flame Retardants Industry:
The presence of bromine atoms in the compound makes Benzoic acid, 2,3,6-tribromo, a potential candidate for use in flame retardants, contributing to the development of safer and more effective fire-resistant materials.

Upstream product

• 124-38-9 carbon dioxide 
• 615-54-3 1,2,4-tribromobenzene 
• 608-21-9 1,2,3-tribromobenzene 
• 363598-42-9 1,3-dibromo-2-(trimethylsilyl)benzene 

Downstream Products

• 57193-26-7 C₇H₃⁽²⁾H₃O₂ 

Relevant articles and documents

Extensive halogen scrambling and buttressing effects encountered upon treatment of oligobromoarenes with bases

As a rule, tri-, tetra- and pentahaloarenes readily undergo ortho-lithiation when treated with amide-type bases. However, halogen migration occurs whenever the substrate contains three or more contiguous halogen atoms, provided that at least one of them is bromine or iodine. Dismutation and reduction processes often take place concomitantly. In this manner, a variety of organometallic intermediates may be formed, the driving force always being a decrease in basicity. When no such energy gain can be achieved, a sterically crowded substrate may just turn out to be inert; this was found to be the case with 1,5-dibromo-3-fluoro-2-(trimethylsilyl)benzene, 1,5-dibromo-3-fluoro-2,4-bis(trimethylsilyl)benzene, and 1,5-dibromo-3-fluoro-2,4-diiodobenzene. Buttressing effects are apparently strong enough to prevent expedient deprotonation of those substrates.