2-Bromo-N,N-diphenylaniline

Basic Information

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CAS Number

78600-31-4

Molecular Formula

C18H14BrN

Molecular Weight

324.22 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

61.0 to 65.0 deg-C

Boiling Point

165°C/0.3mmHg

Density

1.369

SMILES

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C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H

InChIKey

YPIANBZIVBPMJS-UHFFFAOYSA-N

LogP

5.918900000000004

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

263

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

2-Bromotriphenylamine, 97%
o-Bromophenyldiphenylamine
DS-11430
Benzenamine, 2-bromo-N,N-diphenyl-
DTXSID80616860
2-Bromotriphenylamine
B4008
2-Bromo Triphenylamine
MFCD23115676
CS-W014513
SCHEMBL1168198
FT-0735959
SY055293
2-Bromo-N,N-diphenylaniline;Benzenamine, 2-romo-,-iphenyl-
AKOS027320644
2-bromo-N,N-diphenylaniline
2-Bromo-N,N-diphenylaniline;Benzenamine, 2-bromo-N,N-diphenyl-
bromotriphenylamine
A852007
78600-31-4
2-BroMo TriphenylaMine
2-bromo-N,N-diphenylbenzenamine
2-Bromo-N,N-diphenylaniline
ADAL1012800
AK307943
AX8232201

MDL Number

MFCD23115676

FAQ

What are the physical and chemical properties of 2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4)?

2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4) is a solid with a crystalline form. It has a molecular weight of approximately 336.24 g/mol. This compound is sparingly soluble in water but soluble in organic solvents such as dichloromethane and acetone. Chemically, it is reactive towards nucleophiles, particularly towards bromine substitution at the phenyl rings.

How is 2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4) typically synthesized?

2-Bromo-N,N-diphenylaniline is typically synthesized through the bromination of N,N-diphenylaniline using bromine and an alkaline catalyst. The reaction proceeds at room temperature and exhibits good selectivity, yielding a high percentage of the desired product. The presence of phenyl groups can enhance the reactivity of the aromatic ring, leading to a high yield of the substituted product.

What industries use 2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4)?

2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4) is used in various industries, primarily in the pharmaceutical sector for intermediate synthesis, in polymer manufacturing for enhancing properties, and in the development of sensors and semiconductors for their specific chemical and optical properties.

What precautions should be taken when handling 2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4)?

When handling 2-Bromo-N,N-diphenylaniline (CAS: 78600-31-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood during operations to minimize exposure. In case of a spill, immediately clean up the area with appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further instructions. This compound is toxic and may cause irritation or other health effects if inhaled or ingested.