2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate

Basic Information

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CAS Number

80352-42-7

Molecular Formula

C8H7BrO3

Molecular Weight

231.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

132°C

SMILES

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C1=CC(=CC=C1C(=O)C=O)Br.O

InChI

InChI=1S/C8H5BrO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2

InChIKey

IOONPDHKLYFDML-UHFFFAOYSA-N

LogP

1.0059999999999998

Topological Polar Surface Area

65.64 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

160

Safety Information

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Hazard Statement

Synonyms & References

English

AB49987
4-Bromophenyl glyoxal hydrate
2-(4-Bromophenyl)-2-oxoacetaldehyde,hydrate
p-bromophenylglyoxal hydrate
A19746
J-514835
4-bromophenylglyoxal hydrate
MidecamycinAcetate
AKOS015855152
2-(4-bromophenyl)-2-oxoacetaldehyde hydrate
MFCD09260478
859775-25-0
AMY3719
80352-42-7
A863371
CS-13003
2-(4-bromophenyl)-2-oxoacetaldehyde;hydrate
4-Bromophenylglyoxal hydrate
1-(4-bromophenyl)-2,2-dihydroxyEthanone
(4-Bromophenyl)(oxo)acetaldehyde hydrate
(4-Brom-phenyl)-glyoxal
1-(4-Brom-phenyl)-2,2-dihydroxy-aethanon
4-Brom-11.12-dioxo-1-aethyl-benzol
4-bromophenylglyoxal monohydrate
Ethanone,1-(4-bromophenyl)-2,2-dihydroxy
p-Brom-benzoyl-formaldehyd

MDL Number

MFCD09260478

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7)?

2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7) is a white crystalline solid with a molecular weight of approximately 240.02 g/mol. It has a low solubility in water (0.1 g/100 mL at 25°C) and is relatively stable under normal conditions. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is typically stored at room temperature and should be protected from moisture.

How is 2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7) typically synthesized?

2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7) is usually synthesized via the bromination of phenylacetaldehyde followed by acetylation and hydration. The reaction typically involves the use of bromine and a base as a catalyst. The yield is around 70-80% with high selectivity to the desired product.

What industries use 2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7)?

2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs and intermediates. It also finds applications in the polymer industry for the production of functionalized polymers and in the electronics industry for the development of semiconductors and sensors.

What precautions should be taken when handling 2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7)?

When handling 2-(4-Bromophenyl)-2-oxoacetaldehyde hydrate (CAS: 80352-42-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be ventilated thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.