4-Bromo-2-methoxyaniline

Basic Information

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CAS Number

59557-91-4

Molecular Formula

C7H8BrNO

Molecular Weight

202.05 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

Physical State

White to Yellow Solid

Melting Point

57.0 to 61.0 deg-C

Boiling Point

250.4±20.0 °C at 760 mmHg

Density

1.531

Flash Point

105.2±21.8 °C

Solubility

Soluble in methanol.

Refractive Index

1.595

SMILES

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COC1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C7H8BrNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3

InChIKey

WRFYIYOXJWKONR-UHFFFAOYSA-N

LogP

2.0399

Topological Polar Surface Area

35.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

110

Safety Information

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GHS Hazard Pictograms

H302

H317

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

PS-4816
4-bromo-2-methoxyaniline
4-Bromo-o-anisidine
CYCLOHEXANESULFAMICACID
4-bromo-2-methoxy aniline
SY018328
MFCD01204266
CS-W009042
59557-91-4
(4-bromo-2-methoxy-phenyl)-amine
AC-2621
4-bromo-2-methoxyphenylamine
AM20040807
J-514667
4-Bromo-2-methoxy-phenylamine
CHEMBL4991363
AKOS005215993
FT-0601835
4-bromo-2-(methyloxy)aniline
WRFYIYOXJWKONR-UHFFFAOYSA-N
4-bromo-2-methoxybenzenamine
DTXSID50332621
SB77819
Benzenamine, 4-bromo-2-methoxy-
BDBM625995
SCHEMBL155113
2-methoxy-4-bromoaniline
HY-50822
A8367
4-Bromo-2-methoxyaniline, AldrichCPR
4-bromo-2-methoxy-aniline

MDL Number

MFCD01204266

Customs Code

2922299090

FAQ

What are the physical and chemical properties of 4-Bromo-2-methoxyaniline (CAS: 59557-91-4)?

4-Bromo-2-methoxyaniline (CAS: 59557-91-4) is a white crystalline solid with a molecular weight of approximately 213.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is known for its low reactivity under normal conditions but can undergo substitution reactions under specific conditions. It is often used in organic synthesis due to its functional groups.

How is 4-Bromo-2-methoxyaniline (CAS: 59557-91-4) typically synthesized?

4-Bromo-2-methoxyaniline (CAS: 59557-91-4) is typically synthesized via the bromination of 2-methoxyaniline. This process involves treating 2-methoxyaniline with bromine in the presence of a suitable base such as sodium hydroxide. The reaction is carried out in an aqueous phase, and the product can be isolated by extraction or recrystallization. The yield can be improved by optimizing the reaction conditions and using appropriate catalysts.

What industries use 4-Bromo-2-methoxyaniline (CAS: 59557-91-4)?

4-Bromo-2-methoxyaniline (CAS: 59557-91-4) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various organic compounds, particularly in the development of pharmaceuticals and dyes. Due to its functional groups, it is also utilized in the production of polymers and materials science applications.

What precautions should be taken when handling 4-Bromo-2-methoxyaniline (CAS: 59557-91-4)?

When handling 4-Bromo-2-methoxyaniline (CAS: 59557-91-4), it is crucial to wear appropriate personal protective equipment (PPE), including gloves and safety goggles, to protect against skin contact and eye exposure. Work should be conducted in a well-ventilated area, preferably in a fume hood, to minimize inhalation risks. In case of spills, immediately clean up with appropriate absorbent material and dispose of it according to laboratory safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.