2-Amino-3-bromo-5-chlorobenzoic acid

Basic Information

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CAS Number

41198-02-1

Molecular Formula

C7H5BrClNO2

Molecular Weight

250.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Nc1c(Br)cc(Cl)cc1C(=O)O

InChI

InChI=1S/C7H5BrClNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)

InChIKey

PWXLBVZWVKCFHR-UHFFFAOYSA-N

LogP

2.3829

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Synonyms & References

English

2-Amino-3-bromo-5-chlorobenzoic acid
2-AMINO-5-CHLORO-3-BROMO BENZOIC ACID

MDL Number

MFCD04035658

FAQ

What regulatory guidelines apply to 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1)?

2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1) is regulated under the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals, which categorizes it as a skin and eye irritant. Additionally, it must comply with the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the European Union. In the United States, the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) have specific requirements for handling and labeling.

Are there alternatives to 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1) in synthesis?

There are several alternatives to 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1) in synthesis, including 2-Amino-3-chlorobenzoic acid and 2-Amino-3-bromobenzoic acid. These analogs offer similar functionalities but with different substituents, providing researchers with options depending on the specific requirements of their experiments. Common alternative reagents include 2-Amino-5-chlorobenzoic acid and 3-bromo-5-chlorobenzoic acid, which can serve as precursors in various synthetic pathways.

What is the market or research trend for 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1)?

The market for 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1) reflects a steady demand in research and pharmaceutical applications due to its unique chemical properties. Recent trends indicate an increase in interest in its use as a precursor in drug discovery, particularly in compounds targeting specific enzyme activities. Additionally, there is growing research focus on its potential in the development of new materials and organic synthesis methods.

How should waste containing 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1) be handled?

Waste containing 2-Amino-3-bromo-5-chlorobenzoic acid (CAS: 41198-02-1) should be managed according to local and international regulations. Proper waste collection should occur in sealed containers to prevent spillage. For disposal, it is recommended to use incineration or professional waste disposal services. Environmental precautions include ensuring the waste does not contaminate soil or water sources. Protective equipment, such as gloves and safety goggles, should be worn during handling to ensure worker safety.