1-(1,3-Benzodioxol-5-yl)-2-bromoethanone

Basic Information

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CAS Number

40288-65-1

Molecular Formula

C9H7BrO3

Molecular Weight

243.06 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

Melting Point

91-93°C

SMILES

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C1OC2=C(O1)C=C(C=C2)C(=O)CBr

InChI

InChI=1S/C9H7BrO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3H,4-5H2

InChIKey

QBXCVQVFPVXAGS-UHFFFAOYSA-N

LogP

1.9929

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

207

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one
5-bromoacetyl-1,3-benzodioxole
AKOS000118676
NSC53941
MFCD01910077
J-502833
1-(1,3-Benzodioxol-5-yl)-2-bromoethanone, AldrichCPR
1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-bromoethan-1-one
2-bromo-1-(3,4-methylenedioxyphenyl]ethanone
1-(benzo[1,3]dioxol-5-yl)-2-bromoethanone
Y10255
1-(1,3-benzodioxol-5-yl)-2-bromoethanone
1-benzo[1,3]dioxol-5-yl-2-bromo-ethanone
1-(1,3-dioxaindan-5-yl)-2-bromoethan-1-one
1-(2 H-benzo [3,4-d]1,3-dioxolen-5-yl)-2-bromoethan-1-one
NSC 53941
FT-0605459
5-(Bromoacetyl)-1,3-benzodioxolane
2-bromo-1-(3,4-methylenedioxyphenyl)ethanone
11T-0305
SCHEMBL175424
1-(benzo[d][1,3]dioxol-5-yl)-2-bromoethanone
DTXSID30288051
A24518
F9995-0041
5-(Bromoacetyl)-1,3-benzodioxole
EN300-08973
40288-65-1
1-(1,3-Benzodioxol-5-yl)-2-bromo-1-ethanone
NSC-53941
QBXCVQVFPVXAGS-UHFFFAOYSA-N

MDL Number

MFCD01910077

Customs Code

2932999099

FAQ

What is 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone (CAS: 40288-65-1)?

1-(1,3-Benzodioxol-5-yl)-2-bromoethanone is a brominated ketone derivative with the chemical formula C9H7BrO3. It is a colorless to pale yellow liquid with a molecular weight of approximately 233.04 g/mol. This compound is characterized by its aromatic and brominated structure, which contributes to its reactivity in various chemical reactions.

What are the main uses of 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone (CAS: 40288-65-1)?

1-(1,3-Benzodioxol-5-yl)-2-bromoethanone is primarily used in the synthesis of pharmaceuticals and organic intermediates. It serves as a key building block in the production of other chemicals and drugs, particularly in processes that require brominated aromatic compounds. Additionally, it has applications in research for developing new materials and compounds.

Is 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone (CAS: 40288-65-1) safe?

1-(1,3-Benzodioxol-5-yl)-2-bromoethanone (CAS: 40288-65-1) is not considered inherently dangerous, but it is important to handle it with care due to its bromine content. Proper safety precautions, including the use of personal protective equipment such as gloves and goggles, are necessary to prevent skin and eye irritation. It should be stored in a cool, dry place away from direct sunlight and heat sources.

How should 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone (CAS: 40288-65-1) be stored?

1-(1,3-Benzodioxol-5-yl)-2-bromoethanone should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. It is advisable to keep it in a tightly sealed container to maintain its integrity and purity. The storage temperature should not exceed 25°C, and relative humidity should be controlled to minimize the risk of moisture-related issues.