4-Bromo-5-chloro-2-methoxyaniline

Basic Information

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CAS Number

102170-53-6

Molecular Formula

C7H7BrClNO

Molecular Weight

236.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COc1cc(Br)c(Cl)cc1N

InChI

InChI=1S/C7H7BrClNO/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3

InChIKey

QXHFCTQXBMGLQY-UHFFFAOYSA-N

LogP

2.6933

Topological Polar Surface Area

35.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

136

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Bromo-3-chloro-6-methoxyaniline
4-Bromo-5-chloro-2-methoxyaniline
4-Chloro-5-bromo-2-aminoanisole
4-bromo-3-chloro-6-methoxy aniline
Benzenamine, 4-bromo-5-chloro-2-methoxy-
AK189189
PubChem16224
QXHFCTQXBMGLQY-UHFFFAOYSA-N
4-bromo-5-chloro-2-methoxybenzenamine
FCH1394667
BC004088
4-bromanyl-5-chloranyl-2-methoxy-aniline

MDL Number

MFCD09878150

FAQ

What are the physical and chemical properties of 4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6)?

4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6) is a white or slightly yellow crystalline solid with a molecular weight of 263.03 g/mol. It has a solubility of 0.1 g/L in water and is slightly soluble in ethanol. It is chemically reactive, particularly towards nucleophiles and electrophiles, making it useful in various chemical reactions. This compound exhibits good stability under neutral and slightly acidic conditions but is prone to hydrolysis in strong acidic or basic environments.

How is 4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6) typically synthesized?

4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6) is typically synthesized via a multistep process involving bromination, chlorination, and methylation of aniline. Common synthesis methods include the use of bromine and chlorine as reagents, with concentrated sulfuric acid as a catalyst. The reaction conditions and selectivity can be controlled to achieve high yields. This compound is often prepared in a fume hood to manage the volatile and reactive intermediates.

What industries use 4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6)?

4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6) is utilized in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the development of organic photoconductors for semiconductors. It is also used in the production of dyes and other chemical intermediates. This compound is less common in polymer and sensor industries but has specific applications in niche markets.

What precautions should be taken when handling 4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6)?

When handling 4-Bromo-5-chloro-2-methoxyaniline (CAS: 102170-53-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be handled in a well-ventilated area or a fume hood due to its volatility and reactivity. In case of a spill, immediately contain it and clean up using appropriate materials. Always refer to the Safety Data Sheet (SDS) for detailed instructions on handling and emergency procedures.