3-Bromo-5-chloroaniline

Basic Information

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CAS Number

96558-78-0

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

SMILES

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

InChI

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

InChIKey

YYBRLVWWPRAQDX-UHFFFAOYSA-N

LogP

2.6847000000000003

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

99.1

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-5-chlorophenylamine
3-Bromo-5-chloroaniline
3-bromo-5-chlorobenzenamine
Benzenamine,3-bromo-5-chloro-
3-bromo-5-chloro-phenylamine
Benzenamine, 3-bromo-5-chloro-
BENZENAMINE, 3-BROMO-5-CHLORO
PubChem19913
3-bromanyl-5-chloranyl-aniline
YYBRLVWWPRAQDX-UHFFFAOYSA-N
EBD32372
CL8998
SBB093732
AS03660
AB29734
EN001801
BC004485
3-Bromo-5-chlorobenzenamine (ACI)
3-bromo-5-chloroaniline
J-511999
AKOS005258641
MFCD06797804
CS-W019345
A845611
SY109791
GS-4391
96558-78-0
SCHEMBL739226
DTXSID80914459
AC-28547
DB-011147

MDL Number

MFCD06797804

Customs Code

2921420090

FAQ

What regulatory guidelines apply to 3-Bromo-5-chloroaniline (CAS: 96558-78-0)?

3-Bromo-5-chloroaniline (CAS: 96558-78-0) is classified as a hazardous chemical under the GHS system. It falls under Category 1 for Skin Corrosion/Irritation and Category 1 for Serious Eye Damage/Eye Irritation. In the EU, it is regulated under REACH, requiring manufacturers and importers to register the substance if it exceeds the tonnage threshold. The FDA may regulate its use in pharmaceuticals, while the EPA oversees its environmental impact. Compliance with local and international regulations is essential for handling and disposing of this compound.

Are there alternatives to 3-Bromo-5-chloroaniline (CAS: 96558-78-0) in synthesis?

There are several alternatives to 3-Bromo-5-chloroaniline (CAS: 96558-78-0) in synthetic routes. For example, 3-Amino-5-chlorobenzenesulfonic acid can be used as a milder reagent, and 4-Bromo-2-chloroaniline is an isomer with similar properties. Other alternatives include 2-Chloro-4-bromophenol and 3-Chloro-5-bromobenzenesulfonic acid. These alternatives may offer better reactivity or lower toxicity, but they require careful selection based on the specific application and regulatory requirements.

What is the market or research trend for 3-Bromo-5-chloroaniline (CAS: 96558-78-0)?

The market for 3-Bromo-5-chloroaniline (CAS: 96558-78-0) has shown steady growth, driven by its use in the production of dyes and pharmaceuticals. Research trends indicate increasing emphasis on developing greener synthesis methods to reduce environmental impact. There is also a growing interest in exploring its potential applications in agrochemicals and as an intermediate in organic synthesis. However, the regulatory landscape and safety concerns necessitate ongoing evaluation of its market position and demand.

How should waste containing 3-Bromo-5-chloroaniline (CAS: 96558-78-0) be handled?

Waste containing 3-Bromo-5-chloroaniline (CAS: 96558-78-0) should be handled with care to ensure environmental safety. Proper collection and storage are crucial, followed by incineration or professional waste disposal services that comply with local regulations. Neutralization of acidic or basic solutions may be required before disposal to prevent environmental contamination. Implementation of safety precautions, such as using personal protective equipment and following proper waste management protocols, is essential to prevent exposure and environmental harm.