3-Bromo-5-chlorobenzonitrile

Basic Information

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CAS Number

304854-55-5

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

Melting Point

72.0 to 76.0 deg-C

Boiling Point

144°C/12mmHg

SMILES

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C1=C(C=C(C=C1Cl)Br)C#N

InChI

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

InChIKey

DRKWKPSNVQVDKZ-UHFFFAOYSA-N

LogP

2.97418

Complexity

162

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-5-chlorobenzonitile
InChI=1/C7H3BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
Benzonitrile, 3-bromo-5-chloro-
AC-28698
CL8185
EN300-342207
A820399
AB23056
3-Bromo-5-chlorobenzonitrile
AM82845
SY022907
CS-W014832
AKOS015834328
DRKWKPSNVQVDKZ-UHFFFAOYSA-N
304854-55-5
DRKWKPSNVQVDKZ-UHFFFAOYSA-
FT-0654123
3-Bromo-5-chlorobenzonitrile, AldrichCPR
J-511997
PS-7927
MFCD06200840
SCHEMBL505159
DTXSID70580526
B3118
3-Bromo-5-chloro-benzonitrile
5-bromo-3-chlorobenzenecarbonitrile
3-bromo-5-chlorobenzonitrile

MDL Number

MFCD06200840

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5)?

3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5) is classified as a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is subject to regulations such as REACH in the EU, which requires registration, evaluation, authorization, and restriction of chemical substances. In the United States, it is regulated by the EPA and FDA, focusing on environmental protection and food safety.

Are there alternatives to 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5) in synthesis?

While 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5) is a useful reagent in organic synthesis, alternatives include other bromo and chloro derivatives, such as 3-chloro-5-bromobenzonitrile or 3-bromo-4-chlorobenzonitrile. Common substitutes include other cyanoarenes that can be modified with halogens or other functional groups depending on the desired chemical outcome.

What is the market or research trend for 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5)?

The market for 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5) is driven by its use in pharmaceuticals, dyes, and pesticides. Research trends are focusing on its role in asymmetric synthesis and the development of more environmentally friendly processes. The trend also includes the exploration of its use in biocatalysis and its potential in medicinal chemistry for drug discovery.

How should waste containing 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5) be handled?

Waste containing 3-Bromo-5-chlorobenzonitrile (CAS: 304854-55-5) should be collected in appropriate containers labeled with the hazard symbol and chemical name. It should be disposed of through a professional hazardous waste disposal service. Consideration should be given to neutralizing the waste before disposal to minimize environmental impact. Incineration is one method, but it must be conducted under strict environmental and safety regulations.