2-Bromo-5-chloroaniline

Basic Information

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CAS Number

823-57-4

Molecular Formula

C6H5BrClN

Molecular Weight

206.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

38 °C

Boiling Point

128°C/7mmHg

SMILES

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Nc1cc(Cl)ccc1Br

InChI

InChI=1S/C6H5BrClN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2

InChIKey

NLEZSQHAFMZAGU-UHFFFAOYSA-N

LogP

2.6847000000000003

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

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

Synonyms & References

English

2-Bromo-5-chloroaniline
2-bromo-5-chloroBenzenamine
Benzenamine,2-bromo-5-chloro-

MDL Number

MFCD00672942

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-5-chloroaniline (CAS: 823-57-4)?

2-Bromo-5-chloroaniline (CAS: 823-57-4) is a white or off-white crystalline solid with a molecular weight of approximately 223.01 g/mol. It has a melting point of 77-79°C and is slightly soluble in water. The compound is moderately reactive, particularly in its aromatic ring, and can participate in electrophilic aromatic substitution reactions.

How is 2-Bromo-5-chloroaniline (CAS: 823-57-4) typically synthesized?

2-Bromo-5-chloroaniline (CAS: 823-57-4) is often synthesized via the coupling of 5-chloroaniline with bromine in the presence of a suitable base such as sodium hydroxide. The reaction is typically conducted in an aqueous medium, and the yield is usually around 70-80%. The use of appropriate catalysts and solvents can improve selectivity and yield.

What industries use 2-Bromo-5-chloroaniline (CAS: 823-57-4)?

2-Bromo-5-chloroaniline (CAS: 823-57-4) is primarily used in the pharmaceutical, agricultural, and chemical industries. It serves as a precursor in the synthesis of active pharmaceutical ingredients (APIs) and agrochemicals. Additionally, it is utilized in the development of dyes, pigments, and as a reagent in research and development.

What precautions should be taken when handling 2-Bromo-5-chloroaniline (CAS: 823-57-4)?

Handling 2-Bromo-5-chloroaniline (CAS: 823-57-4) requires strict safety measures. Wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a well-ventilated area and use a fume hood during operations. In the event of a spill, use appropriate containment and clean up according to the Material Safety Data Sheet (MSDS/SDS) guidelines.