3-(4-Bromophenyl)propanal

Basic Information

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CAS Number

80793-25-5

Molecular Formula

C9H9BrO

Molecular Weight

213.07 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=C1CCC=O)Br

InChI

InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2

InChIKey

RXZJWVPNFPPSEM-UHFFFAOYSA-N

LogP

2.5806000000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

117

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BENZENEPROPANAL, 4-BROMO-
SCHEMBL98013
AB42279
A9964
80793-25-5
CS-B0694
DTXSID90467249
J-510664
3-(4-bromophenyl)propanaldehyde
3-(4-bromophenyl)propanal
SY240239
EN300-317442
AKOS010078901
AS-31214
MFCD07772913
4-Carbamimidoylpiperazine-1-carboxylicacidamide
RXZJWVPNFPPSEM-UHFFFAOYSA-N
3-(4-BROMOPHENYL)PROPIONALDEHYDE
3-(4-BROMO-PHENYL)-PROPIONALDEHYDE
FT-0650384
4-Bromophenylpropanal
Z993017756
3-(4-Bromophenyl)propionaldehyde
3-(4-Bromophenyl)propanal

MDL Number

MFCD07772913

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 3-(4-Bromophenyl)propanal (CAS: 80793-25-5)?

3-(4-Bromophenyl)propanal has a crystalline form and a molecular weight of approximately 224.03 g/mol. It is slightly soluble in water but miscible with most organic solvents. The compound is moderately reactive, particularly towards nucleophiles. It is prone to undergoing nucleophilic substitution and condensation reactions.

How is 3-(4-Bromophenyl)propanal (CAS: 80793-25-5) typically synthesized?

3-(4-Bromophenyl)propanal can be synthesized via aldehyde functional group formation from 4-bromophenylacetyl chloride and propionaldehyde. Common methods include Wittig reaction or Grignard reaction, which provides a high yield and good selectivity. The use of anhydrous conditions and appropriate solvents is recommended for optimal results.

What industries use 3-(4-Bromophenyl)propanal (CAS: 80793-25-5)?

3-(4-Bromophenyl)propanal is used in various industries, particularly in pharmaceuticals and fine chemicals. It serves as a precursor for the synthesis of pharmaceuticals and is also used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-(4-Bromophenyl)propanal (CAS: 80793-25-5)?

When handling 3-(4-Bromophenyl)propanal, it is important to use personal protective equipment (PPE) such as gloves and eye protection. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.