3-Bromo-N-methylaniline

Basic Information

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CAS Number

66584-32-5

Molecular Formula

C7H8BrN

Molecular Weight

186.05 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

253 °C

Density

1.461 g/mL at 25 °C

Flash Point

>235 °F

Refractive Index

n20/D 1.6120(lit.)

SMILES

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CNC1=CC(=CC=C1)Br

InChI

InChI=1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3

InChIKey

HKOSFZXROYRVJT-UHFFFAOYSA-N

LogP

2.4908

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

Synonyms & References

English

DTXSID80426986
DS-5756
EN300-45228
3-bromo-N-methyl aniline
HKOSFZXROYRVJT-UHFFFAOYSA-N
NS00010872
Benzenamine, 3-bromo-N-methyl-
(3-bromophenyl)-methylamine
F14680
AKOS000254254
3-Bromo-N-methylaniline
CS-W004947
BP-21282
AMY9475
(3-bromo-phenyl)-methyl-amine
MFCD05664376
66584-32-5
n-methyl-3-bromoaniline
A853448
(3-bromophenyl)methylamine
3-Bromo-N-methylaniline, 97%
SCHEMBL2085402
SY104448
(3-Bromophenyl)methylamine
N-(3-bromophenyl)-N-methylamine
3-Brom-N-methyl-anilin
3-bromo-N-methyl-aniline
N-methyl-3-bromoaniline
AK112706
ST2417577
Z5012

MDL Number

MFCD05664376

Customs Code

2921420090

FAQ

What regulatory guidelines apply to 3-Bromo-N-methylaniline (CAS: 66584-32-5)?

3-Bromo-N-methylaniline (CAS: 66584-32-5) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It falls under the category of skin and eye irritant, and respiratory sensitiser. In Europe, it is regulated under REACH, requiring manufacturers and importers to register it if the annual production or import volume exceeds one tonne. The FDA and EPA may regulate its use in certain applications, such as in the manufacturing of drugs and industrial chemicals, requiring compliance with specific safety and environmental standards.

Are there alternatives to 3-Bromo-N-methylaniline (CAS: 66584-32-5) in synthesis?

There are several alternatives to 3-Bromo-N-methylaniline (CAS: 66584-32-5) depending on the synthesis requirements. Common alternatives include 2-chloro-N-methylaniline and 3-nitro-N-methylaniline, which can be used as bromine analogs in various reactions. Additionally, using more environmentally friendly reagents like bromine-free compounds or substituting with different functional groups can be explored in green chemistry approaches.

What is the market or research trend for 3-Bromo-N-methylaniline (CAS: 66584-32-5)?

The market for 3-Bromo-N-methylaniline (CAS: 66584-32-5) is primarily driven by its use in the pharmaceutical industry as a precursor for certain drugs and in the production of organic dyes. Research trends are focusing on developing safer and more sustainable synthesis methods. Emerging fields such as environmental chemistry are also driving the demand for alternatives. Price trends show fluctuations based on supply and demand, with a stable market overall.

How should waste containing 3-Bromo-N-methylaniline (CAS: 66584-32-5) be handled?

Waste containing 3-Bromo-N-methylaniline (CAS: 66584-32-5) should be collected in a compatible container lined with a suitable absorbent material. The waste should be neutralized with a proper neutralizing agent to minimize environmental impact. It should then be incinerated or disposed of by a licensed hazardous waste disposal service. Environmental precautions include proper ventilation and the use of personal protective equipment to prevent exposure. Compliance with local, state, and federal regulations is essential.