4,6-dibromo-1H-indole

Basic Information

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CAS Number

99910-50-6

Molecular Formula

C8H5Br2N

Molecular Weight

274.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

368.526°C at 760 mmHg

Density

2.048

Flash Point

176.678°C

Refractive Index

1.736

SMILES

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C1=CNC2=C1C(=CC(=C2)Br)Br

InChI

InChI=1S/C8H5Br2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H

InChIKey

PXUDJVIHHHIEGO-UHFFFAOYSA-N

LogP

3.6929000000000007

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

151

Synonyms & References

English

DS-6313
SCHEMBL1020056
99910-50-6
DTXSID30554546
PXUDJVIHHHIEGO-UHFFFAOYSA-N
AMY24362
AB30634
AC-14319
4,6-dibromo-1H-indole
SY272797
4,6-Dibromoindole
ZDA91050
AKOS015961567
A846096
MFCD07357291
FT-0751267
I10245
CS-0155535
4,6-Dibromo-1H-indole
4,6-Dibromo indole
4,6-DIBROMOINDOLE
AK113573
Glossobalole
1H-Indole, 4,6-dibromo-
PubChem22615
4,6-bis(bromanyl)-1H-indole
7019AC
FCH1382769
BC004806
AX8092749
ST24042618

MDL Number

MFCD07357291

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4,6-dibromo-1H-indole (CAS: 99910-50-6)?

4,6-Dibromo-1H-indole (CAS: 99910-50-6) may fall under various regulatory guidelines depending on its intended use. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous substance due to its potential to be toxic. For commercial and industrial use, it is also subject to the REACH regulations in the European Union, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA). In the United States, the FDA and EPA have specific regulations for the use and handling of chemical substances, including documentation and labeling requirements.

Are there alternatives to 4,6-dibromo-1H-indole (CAS: 99910-50-6) in synthesis?

4,6-Dibromo-1H-indole (CAS: 99910-50-6) can be synthesized using various alternative reagents and methods. Some common alternatives include using other substituted indoles or brominated compounds that can serve similar functional groups. For example, 2-bromoindole and 4-bromoindole are often used as precursors. The choice of alternative depends on the specific chemical functionality and properties required for the final product.

What is the market or research trend for 4,6-dibromo-1H-indole (CAS: 99910-50-6)?

The market for 4,6-dibromo-1H-indole (CAS: 99910-50-6) is driven by its use in pharmaceutical and agrochemical industries. Research trends focus on its potential as a precursor for complex organic structures and as a modulator in medicinal chemistry. Recent studies are exploring its role in synthesizing natural products and developing new drug candidates. The demand for this compound is expected to grow with advancements in drug discovery and synthetic chemistry.

How should waste containing 4,6-dibromo-1H-indole (CAS: 99910-50-6) be handled?

Waste containing 4,6-dibromo-1H-indole (CAS: 99910-50-6) should be handled according to the local hazardous waste management regulations. It is important to collect the waste in appropriate containers and ensure proper labeling. For disposal, incineration is a common method, especially if the waste is in a concentrated form. Alternatively, professional waste disposal services can handle the waste safely, ensuring that all environmental protection precautions are taken. Always consult the material safety data sheet (MSDS) and follow local guidelines for waste management.