2-(2-Bromophenyl)acetaldehyde

Basic Information

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CAS Number

96557-30-1

Molecular Formula

C8H7BrO

Molecular Weight

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

InChI

InChI=1S/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2

InChIKey

AXBFWAWZAFWFQW-UHFFFAOYSA-N

LogP

2.1905

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

114

Synonyms & References

English

2-(2-bromophenyl)acetaldehyde
(2-Bromophenyl)acetaldehyde
1-Bromo-2-(formylmethyl)benzene
2-Bromobenzeneacetaldehyde
Benzeneacetaldehyde,2-bromo
2-Bromobenzeneacetaldehyde (ACI)
2-(2-Bromophenyl)acetaldehyde
2-(2-bromophenyl)acetaldehyde, AldrichCPR
Benzeneacetaldehyde, 2-bromo-
2-bromophenyl acetaldehyde
AKOS013283562
DTXSID20465415
DB-080430
W16824
F8883-7724
EN300-123468
(2-Bromophenyl)acetaldehyde, >90%
A1-15200
2-Bromobenzeneacetaldehyde; 1-Bromo-2-(formylmethyl)benzene;
Z1183459130
2-(2-bromophenyl) acetaldehyde
SCHEMBL166137
CS-0038248
BS-50570
96557-30-1
(2-Bromo-phenyl)-acetaldehyde
AXBFWAWZAFWFQW-UHFFFAOYSA-N

MDL Number

MFCD02261726

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1)?

2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1) is a colorless liquid with a molecular weight of approximately 234.03 g/mol. It has a density of about 1.19 g/cm³ and a boiling point of around 163°C. This compound is slightly soluble in water but miscible with most organic solvents. It is reactive towards nucleophiles and can undergo electrophilic aromatic substitution reactions.

How is 2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1) typically synthesized?

2-(2-Bromophenyl)acetaldehyde can be synthesized through the bromination of acetophenone followed by hydrolysis. The bromination step is typically performed using N-bromosuccinimide (NBS) as the brominating agent. The reaction mixture is then hydrolyzed with aqueous acid to produce the desired aldehyde. The yield is around 70-80%, and the reaction requires careful control of temperature and reagents to achieve high selectivity.

What industries use 2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1)?

2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1) is used in the pharmaceutical industry as an intermediate in the synthesis of various organic compounds. It is also utilized in the polymer industry to modify properties of polymers and in the production of sensors and semiconductors for electronic applications.

What precautions should be taken when handling 2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1)?

When handling 2-(2-Bromophenyl)acetaldehyde (CAS: 96557-30-1), it is important to use personal protective equipment such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be handled using appropriate absorbents, and the area should be cleaned with water and detergent. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.