3-Bromo-N,N-bis(4-methylphenyl)aniline

Basic Information

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CAS Number

845526-91-2

Molecular Formula

C20H18BrN

Molecular Weight

352.28 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

83.0 to 88.0 deg-C

Boiling Point

459.9±45.0 °C at 760 mmHg

Density

1.307

Flash Point

232.0±28.7 °C

SMILES

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CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3

InChIKey

LBLFZUNRAGUAFR-UHFFFAOYSA-N

LogP

6.535740000000004

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

307

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

A847371
845526-91-2
MFCD15144691
3-bromo-N,N-bis(4-methylphenyl)aniline, 98%
FT-0762876
DTXSID50679967
B5019
AKOS015901323
3-Bromo-4',4''-dimethyltriphenylamine
3-Bromo-N,N-di-p-tolylaniline
DI-P-TOLYL-3-BROMOPHENYLAMINE
SCHEMBL5573680
VIB52691
3-BROMO-N,N-DI-P-TOLYLBENZENAMINE
3-Bromo-N,N-bis(4-methylphenyl)aniline
3-Bromo-N,N-bis(4-methylphenyl)benzenamine
3-bromo-N,N-bis(4-methylphenyl)aniline
3-BROMO-N,N-BIS(4-METHYLPHENYL)BENZENAMINE
Di-p-tolyl-3-bromophenylamine
N,N-Bis(4-methylphenyl)-3-bromoaniline

MDL Number

MFCD15144691

FAQ

What are the physical and chemical properties of 3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2)?

3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2) is a solid, crystalline compound with a molecular weight of approximately 278.16 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive than its parent aniline but can undergo bromination reactions. It is stable under normal conditions but should be stored in a cool, dry place to prevent degradation.

How is 3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2) typically synthesized?

3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2) is typically synthesized via a series of reactions starting from 4-methylphenyl aniline. The process involves bromination of the amino group followed by coupling with another 4-methylphenyl group. This can be achieved using NBS (N-bromosuccinimide) as the brominating agent and a suitable base like potassium carbonate in an organic solvent. The yield is moderate and the reaction is performed under mild conditions to ensure selectivity.

What industries use 3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2)?

3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2) is used in various industries. Its application includes the production of dyes and pigments, pharmaceuticals, and as a reagent in organic synthesis. Additionally, it finds use in the polymer industry for improving material properties and in the sensor industry for its reactivity with certain chemical species.

What precautions should be taken when handling 3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2)?

When handling 3-Bromo-N,N-bis(4-methylphenyl)aniline (CAS: 845526-91-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place to prevent degradation. Spills should be cleaned up using absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and storage guidelines to ensure safety in the laboratory environment.