4-Bromo-3,5-diiodobenzoic acid

Basic Information

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CAS Number

861117-99-9

Molecular Formula

C7H3BrI2O2

Molecular Weight

452.81 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

2.790

SMILES

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C1=C(C=C(C(=C1I)Br)I)C(=O)O

InChI

InChI=1S/C7H3BrI2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12)

InChIKey

GYACLFCYRGVTOB-UHFFFAOYSA-N

LogP

3.3565000000000005

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

176

Synonyms & References

English

GYACLFCYRGVTOB-UHFFFAOYSA-N
MFCD11109503
FT-0730580
DTXSID60697132
CS-0360305
4-Bromo-3,5-diiodobenzoicacid
SCHEMBL16049973
4-BROMO-3,5-DIIODOBENZOIC ACID
861117-99-9
4-Bromo-3,5-diiodobenzoic acid

MDL Number

MFCD11109503

FAQ

What regulatory guidelines apply to 4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9)?

4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA regulations in the United States. Manufacturers and importers must ensure compliance with these regulations for classification, labeling, and reporting of hazardous properties.

Are there alternatives to 4-Bromo-3,5-diiodobenzoic acid in synthesis?

While 4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9) is a specialized compound, alternative reagents such as 4-Iodo-3,5-dibromobenzoic acid and 3,5-Dibromo-4-fluorobenzoic acid can be used in certain synthetic pathways. These alternatives may provide similar reactivity but with different functional groups.

What is the market or research trend for 4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9)?

The market for 4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9) is primarily driven by its use in research and development for pharmaceuticals and materials science. Recent trends indicate an increasing demand in academic and industrial settings, particularly in studies focusing on functional materials and drug synthesis.

How should waste containing 4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9) be handled?

Waste containing 4-Bromo-3,5-diiodobenzoic acid (CAS: 861117-99-9) should be collected in appropriate containers labeled with the hazard information. It should then be transported to a professional waste disposal facility for incineration or other suitable methods. Environmental protection measures, such as neutralization of acids and filtration of solvents, should be implemented to minimize environmental impact.