3-Bromo-4-chlorobenzonitrile

Basic Information

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CAS Number

948549-53-9

Molecular Formula

C7H3BrClN

Molecular Weight

216.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

260.2±20.0 ºC (760 Torr),

Density

1.74±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

111.1±21.8 ºC,

SMILES

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C1=CC(=C(C=C1C#N)Br)Cl

InChI

1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H

InChIKey

GTTSCQCUEKBTNZ-UHFFFAOYSA-N

LogP

2.97418

Complexity

162

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-4-chlorobenzonitrile
3-Bromo-4-chloro-benzonitrile
GTTSCQCUEKBTNZ-UHFFFAOYSA-N
TRA0048914
FCH1390160
CM12950
AS05795
BENZONITRILE, 3-BROMO-4-CHLORO-
3-Bromo-4-chlorobenzonitrile, AldrichCPR
OR350429
SY016887
AX8158050
W9713
ST24028434
A21018
3-Bromo-4-chlorobenzonitrile (ACI)
948549-53-9
SCHEMBL13838518
DTXSID20652323
J-511917
AKOS015834339
MFCD09025661
3-bromo-4-chlorobenzonitrile
benzonitrile, 3-bromo-4-chloro-;
Z1269236771
CHEMBL5019052
AC-1831
DS-13077
DB-028388
CS-0040337
EN300-117960

MDL Number

MFCD09025661

FAQ

What are the physical and chemical properties of 3-Bromo-4-chlorobenzonitrile (CAS: 948549-53-9)?

3-Bromo-4-chlorobenzonitrile is a crystalline solid with a molecular weight of approximately 224.02 g/mol. It has a melting point of about 65-66°C and is slightly soluble in water. It reacts with bases, which can lead to the formation of cyanide. The compound is used in various chemical reactions and has moderate reactivity under certain conditions.

How is 3-Bromo-4-chlorobenzonitrile (CAS: 948549-53-9) typically synthesized?

3-Bromo-4-chlorobenzonitrile is typically synthesized through the reaction of 4-chlorobenzonitrile with bromine in the presence of a Lewis acid catalyst such as aluminum bromide. This reaction is selective and yields high purity product. Care should be taken to handle the bromine and ensure proper ventilation.

What industries use 3-Bromo-4-chlorobenzonitrile (CAS: 948549-53-9)?

3-Bromo-4-chlorobenzonitrile is used in the pharmaceutical industry for the synthesis of certain intermediates. It also finds applications in the polymer and sensor industries due to its unique chemical properties. Its use in semiconductors is limited but it can be employed in specialized processes.

What precautions should be taken when handling 3-Bromo-4-chlorobenzonitrile (CAS: 948549-53-9)?

When handling 3-Bromo-4-chlorobenzonitrile, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling instructions.