4-(4-Bromo-3-formylphenoxy)benzonitrile

Basic Information

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CAS Number

906673-54-9

Molecular Formula

C14H8BrNO2

Molecular Weight

291.14 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 Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

441.9±35.0°C at 760 mmHg

SMILES

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C1=CC(=CC=C1C#N)OC2=CC(=C(C=C2)Br)C=O

InChI

InChI=1S/C14H8BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,9H

InChIKey

IEHZPKWXBVTRRG-UHFFFAOYSA-N

LogP

4.362320000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

330

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

4-(4-bromo-3-formylphenoxy)Benzonitrile
4-(4-BROMO-3-FORMYL-PHENOXY)-BENZONITRILE
BCP24263
AK316794
4-(4-Bromo-3-formylphenoxy)benzonitrile (ACI)
4-(4-Bromo-3-formylphenoxy)benzonitrile
Benzonitrile, 4-(4-bromo-3-formylphenoxy)-
Benzonitrile, 4-a(4-abromo-a3-aformylphenoxy)a-
SCHEMBL18809237
DS-11464
A1-03609
s10789
UNII-GES8YN7RZC
AKOS027324075
CS-0011251
DTXSID901021147
AC-30403
DA-22598
MFCD23131224
906673-54-9
C14H8BrNO2
ZB1805
GES8YN7RZC

MDL Number

MFCD23131224

FAQ

What are the physical and chemical properties of 4-(4-Bromo-3-formylphenoxy)benzonitrile (CAS: 906673-54-9)?

4-(4-Bromo-3-formylphenoxy)benzonitrile is a crystalline solid with a molecular weight of approximately 342.04 g/mol. It has a low water solubility and moderate solubility in organic solvents like ethanol and acetonitrile. The compound is known for its reactivity towards nucleophiles and electrophiles, making it useful in various synthetic transformations.

How is 4-(4-Bromo-3-formylphenoxy)benzonitrile (CAS: 906673-54-9) typically synthesized?

4-(4-Bromo-3-formylphenoxy)benzonitrile is typically synthesized via the reaction of 4-bromophenol with acrylonitrile in the presence of a strong base like sodium hydride. The reaction involves the formation of a benzonitrile group and the introduction of a bromo group, yielding a high selectivity and a good yield of the desired product.

What industries use 4-(4-Bromo-3-formylphenoxy)benzonitrile (CAS: 906673-54-9)?

4-(4-Bromo-3-formylphenoxy)benzonitrile is primarily used in the pharmaceutical and chemical industries due to its reactivity and potential as a building block for more complex molecules. It may also have applications in polymer science and sensor technology, where its functional groups can be utilized.

What precautions should be taken when handling 4-(4-Bromo-3-formylphenoxy)benzonitrile (CAS: 906673-54-9)?

When handling 4-(4-Bromo-3-formylphenoxy)benzonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.