2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate

Basic Information

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CAS Number

850349-72-3

Molecular Formula

C13H13BrINO2

Molecular Weight

422.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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O=C(N1C=C(I)C2=C1C=CC(Br)=C2)OC(C)(C)C

InChI

InChI=1S/C13H13BrINO2/c1-13(2,3)18-12(17)16-7-10(15)9-6-8(14)4-5-11(9)16/h4-7H,1-3H3

InChIKey

MCFJOLCLHJYCDS-UHFFFAOYSA-N

LogP

4.7916000000000025

Topological Polar Surface Area

31.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

331

Safety Information

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Hazard Statement

Synonyms & References

English

tert-Butyl 5-bromo-3-iodo-1H-indole-1-carboxylate
5-Bromo-3-iodoindole-1-carboxylic acid tert-butyl ester
tert-butyl 5-bromo-3-iodoindole-1-carboxylate
1-Boc-5-bromo-3-iodo-indole

MDL Number

MFCD05864761

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate (CAS: 850349-72-3)?

2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate (CAS: 850349-72-3) is subject to the GHS classification system, which includes health and environmental hazards. Additionally, it falls under the REACH regulations for the European market, requiring detailed safety data sheets (SDS) and registration. For FDA and EPA related requirements, it is classified as a controlled substance due to its chemical structure and should comply with relevant U.S. regulations.

Are there alternatives to 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate in synthesis?

Several alternatives can be considered in the synthesis of 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate. For instance, 2-Methyl-2-propanol can be used as a starting material to synthesize related compounds. Additionally, bromine and iodine can be replaced with other halogenating agents like phosphorus tribromide or phosphorus triiodide, though these alternatives may require adjustments in reaction conditions and reagents.

What is the market or research trend for 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate (CAS: 850349-72-3)?

The market for 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate (CAS: 850349-72-3) is currently stable, with increasing research trends in its application in medicinal chemistry and organic synthesis. The compound is gaining interest due to its potential in creating novel pharmaceuticals and materials. Market trends indicate a growing demand for this compound, particularly in academic and industrial research settings.

How should waste containing 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate (CAS: 850349-72-3) be handled?

Waste containing 2-Methyl-2-propanyl 5-bromo-3-iodo-1H-indole-1-carboxylate (CAS: 850349-72-3) should be handled in accordance with local and international regulations. Waste liquid should be collected in appropriate containers and stored in a well-ventilated area. For disposal, professional waste treatment facilities should be utilized. Incineration is a common method, but environmental protection precautions must be taken to prevent air pollution. Ensure compliance with all relevant regulations and obtain necessary permits for disposal.