3-Bromo-N,N-diphenylaniline

Basic Information

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CAS Number

78600-33-6

Molecular Formula

C18H14BrN

Molecular Weight

324.22 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

90.0 to 94.0 deg-C

Boiling Point

193°C/2.5mmHg

Density

1.369±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

207.2±24.0 °C

Solubility

Insuluble (2.5E-4 g/L) (25 ºC),

Refractive Index

1.664

SMILES

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

InChI

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

InChIKey

YDXLVFKTOSKBKT-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

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

Benzenamine, 3-bromo-N,N-diphenyl-
3-Bromo-N,N-diphenylaniline, 97%
3-Bromo-N,N-diphenylaniline
78600-33-6
MFCD06798123
3-BROMO-N N-DIPHENYLANILINE 97
SCHEMBL4890429
DTXSID80584595
3-Bromotriphenylamine
YDXLVFKTOSKBKT-UHFFFAOYSA-N
C16378
3-Bromo-N,N-diphenylaniline;Benzenamine, 3-romo-,-iphenyl-
CS-W013944
N-(3-bromophenyl)-N,N-diphenylamine
3-Bromo Triphenylamine
FT-0718618
3-bromo-N,N-diphenyl-aniline
A852008
3-bromo-n n-diphenylaniline
B4036
AKOS025295759
AS-59118
3-Bromo-N,N-diphenylaniline;Benzenamine, 3-bromo-N,N-diphenyl-
Benzenamine,3-bromo-N,N-diphenyl-
3-bromo-N,N-diphenylBenzenamine
N,N-Diphenyl-3-bromoaniline

MDL Number

MFCD06798123

FAQ

What are the physical and chemical properties of 3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6)?

3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6) is a crystalline solid with a molecular weight of approximately 337.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively unreactive but can undergo substitution reactions under certain conditions. Its high molecular weight and aromatic structure contribute to its stability in various environments.

How is 3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6) typically synthesized?

3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6) is commonly synthesized through the reaction of 3-diphenylaminoaniline with bromine in the presence of a phase transfer catalyst like tetrabutylammonium bromide. The reaction typically proceeds with good yield and selectivity, making it a reliable method for production.

What industries use 3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6)?

3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6) finds application in the pharmaceutical and polymer industries. It is used as an intermediate in the synthesis of certain drugs and has potential uses in polymer modifications and as a dopant in organic semiconductor materials.

What precautions should be taken when handling 3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6)?

When handling 3-Bromo-N,N-diphenylaniline (CAS: 78600-33-6), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Proper spill cleanup procedures should be followed, and the Safety Data Sheet (SDS) should be readily available for reference.