N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine

Basic Information

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CAS Number

124729-98-2

Molecular Formula

C57H48N4

Molecular Weight

789.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

210°C

Density

1.199

Refractive Index

1.704

SMILES

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CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC(=C9)C

InChI

InChI=1S/C57H48N4/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57/h4-42H,1-3H3

InChIKey

DIVZFUBWFAOMCW-UHFFFAOYSA-N

LogP

16.491059999999965

Topological Polar Surface Area

12.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

1090

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

DTXSID40453692
N1-Phenyl-N4,N4-bis(4-(phenyl(m-tolyl)amino)-phenyl)-N1-(m-tolyl)benzene-1,4-diamine
4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
4,4',4''-Tris[phenyl(m-tolyl)amino]triphenylamine, 98.0%
T2251
N~1~-(3-Methylphenyl)-N~4~,N~4~-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N~1~-phenylbenzene-1,4-diamine
FT-0658324
4,4,4-Tris[phenyl(m-tolyl)amino]triphenylamine
SCHEMBL26563
4,4',4'-Tris(N-3-methylphenyl-N-phenyl-amino)-triphenylamine
4,4',4'-Tris(N-3-methylphenyl-N-phenyl-amino)-
4,4,4-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine[m-MTDATA]
C57H48N4
AS-39322
AKOS005145697
4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine
124729-98-2
ZEA72998
A805285
MFCD00799401
4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine, 99.00%
4,4',4''-tris(n-3-methylphenyl-n-phenyl-amino)triphenylamine
m-MTDATA
N1-Phenyl-N4,N4-bis(4-(phenyl(m-tolyl)amino)phenyl)-N1-(m-tolyl)benzene-1,4-diamine
(4,4',4''-tris[N-(3-methylphenyl)-N-phenylamino]-triphenylamine)
44'4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine
4,4',4-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine[m-MTDATA]
4,4',4''-Tris[phenyl(m-tolyl)amino]triphenylamine
4,4',4''-TRIS(N-3-METHYLPHENYL-N-PHENYLAMINO)TRIPHENYLAMINE,AFTER SUBLIMATION
4,4,4" -Tris(N-3-MethylPhenyl-N-Phenyl-Amino)triPhenylamine
4,4′,4′′-Tris[(3-methylphenyl)phenylamino]triphenylamine

MDL Number

MFCD00799401

FAQ

What regulatory guidelines apply to N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine (CAS: 124729-98-2)?

N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA guidelines in the United States. Specific hazards include skin and eye irritation, and exposure may require hazard communication and personal protective equipment.

Are there alternatives to N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine (CAS: 124729-98-2) in synthesis?

Alternative reagents such as 4-phenyl-1,4-benzenediamine and its derivatives can be used as precursors in synthesis. Additionally, isomers and analogs like N,N'-diphenyl-4-phenyl-1,4-benzenediamine can offer similar functionalities with varied chemical properties.

What is the market or research trend for N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine (CAS: 124729-98-2)?

The research trend for N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine is focused on its applications in advanced materials and pharmaceuticals. Market trends indicate growing interest in its use as a precursor for synthesizing novel compounds with specific properties. Emerging research is exploring the compound's potential in drug development and high-performance polymers.

How should waste containing N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine (CAS: 124729-98-2) be handled?

Waste containing N-(3-Methylphenyl)-N',N'-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine should be collected in appropriate containers and stored in a controlled environment. Waste disposal should follow local and international regulations, typically involving incineration or professional waste disposal services. Environmental protection measures include neutralizing any hazardous components before disposal to prevent contamination.