1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone

Basic Information

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CAS Number

52190-28-0

Molecular Formula

C10H9BrO3

Molecular Weight

257.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(Br)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChI=1S/C10H9BrO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3

InChIKey

NTPQGLLTGPTOAA-UHFFFAOYSA-N

LogP

2.3814

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

1-(Benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one
2-Bromo-3´,4´-(methylenedioxy)propiophenone
2-Bromo-3',4'-(methylenedioxy)propiophenone
2-BROMO-3',4'-(METHYLENEDIOXY)PROPIOPHENONE,PALE YELLOW SOLID
2-Bromo-3?,4?-(methylenedioxy)propiophenone
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-one
4′-(methylenedioxy)propiophenone

MDL Number

MFCD12403547

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0)?

The compound 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It may also be subject to the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations. Additionally, it is regulated by the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) in the United States. Compliance with these regulations is essential for safe handling, storage, and transportation.

Are there alternatives to 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0) in synthesis?

In the synthesis of 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0), alternative reagents such as 1-(1,3-Benzodioxol-5-yl)-2-chloro-1-propanone can be used. Additionally, isomers or analogs like 1-(1,3-Benzodioxol-5-yl)-2-iodo-1-propanone or 1-(1,3-Benzodioxol-5-yl)-2-fluoro-1-propanone may serve as viable substitutes. These alternatives can offer similar functionality in various synthetic routes.

What is the market or research trend for 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0)?

The market for 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0) is currently driven by its applications in pharmaceuticals and agrochemicals. Research trends indicate a growing interest in its use as a precursor in medicinal chemistry, particularly in the synthesis of antiviral and anti-inflammatory compounds. The trend is also aligned with increasing demand for environmentally friendly synthetic approaches and the development of new drug candidates.

How should waste containing 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0) be handled?

Waste containing 1-(1,3-Benzodioxol-5-yl)-2-bromo-1-propanone (CAS: 52190-28-0) should be collected in appropriate containers and stored in a well-ventilated area away from heat and ignition sources. Prior to disposal, it should be neutralized and the waste liquid collected for incineration or professional waste disposal. Environmental protection precautions should include the use of personal protective equipment and adherence to local and national waste disposal regulations to minimize environmental impact.