3-(3-Bromophenyl)acrylaldehyde

Basic Information

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CAS Number

97985-66-5

Molecular Formula

C9H7BrO

Molecular Weight

211.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+

InChIKey

QICJGJJHIQBWJR-DUXPYHPUSA-N

LogP

2.6612

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

154

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(E)-3-(3-Bromophenyl)acrylaldehyde
trans-3-Bromocinnamaldehyde
(E)-3-(3-Bromophenyl)-2-propenal
3-(3-BROMOPHENYL)ACRYLALDEHYDE
3-Bromocinnamaldehyde
m-Bromzimtaldehyd
(2E)-3-(3-bromophenyl)prop-2-enal
3-(3-Bromophenyl)propenal
AMBZ0232
QICJGJJHIQBWJR-DUXPYHPUSA-N
(E)-3-(3-Bromo-phenyl)-propenal
FCH2575977
FCH1317924
AM85992
AX8137262
AX8078358
ST2410347
AB0022448
W3315
Z3561
985B665
(2E)-3-(3-Bromophenyl)-2-propenal (ACI)
2-Propenal, 3-(3-bromophenyl)-, (E)- (ZCI)
(E)-3-Bromocinnamaldehyde
3-(3-bromophenyl)prop-2-enal
2-Propenal, 3-(3-bromophenyl)-, (2E)-
3-(3-Bromophenyl)-2-propenal; m-Bromocinnamaldehyde
3-BROMOCINNAMALDEHYDE
EN300-1246896
XDA98566
(E)-3-(3-bromophenyl)prop-2-enal

MDL Number

MFCD00996500

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 3-(3-Bromophenyl)acrylaldehyde (CAS: 97985-66-5)?

3-(3-Bromophenyl)acrylaldehyde is a colorless to white crystalline solid. Its molecular weight is approximately 237.13 g/mol. It has poor water solubility but is soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo electrophilic addition reactions.

How is 3-(3-Bromophenyl)acrylaldehyde (CAS: 97985-66-5) typically synthesized?

3-(3-Bromophenyl)acrylaldehyde is often synthesized by brominating phenylacrylaldehyde using N-bromosuccinimide (NBS) in the presence of a peroxide initiator like benzoyl peroxide. The reaction is typically carried out in an organic solvent like dichloromethane, and the product can be isolated by recrystallization.

What industries use 3-(3-Bromophenyl)acrylaldehyde (CAS: 97985-66-5)?

3-(3-Bromophenyl)acrylaldehyde finds applications in the pharmaceutical industry for the synthesis of certain intermediates. It is also used in the polymer industry as a monomer for specific polymer formulations. Additionally, it has potential uses in the production of sensors and in semiconductor manufacturing as a precursor.

What precautions should be taken when handling 3-(3-Bromophenyl)acrylaldehyde (CAS: 97985-66-5)?

Proper personal protective equipment (PPE) is essential when handling 3-(3-Bromophenyl)acrylaldehyde. Wear gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using appropriate safety protocols, and the material safety data sheet (MSDS) should be referenced for detailed safety information.