N-Phenyl-1,3-benzenediamine

Basic Information

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CAS Number

5840-03-9

Molecular Formula

C12H12N2

Molecular Weight

184.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

362°C at 760 mmHg

Density

1.167

Flash Point

203.2°C

Refractive Index

1.683

SMILES

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C1=CC=C(C=C1)NC2=CC=CC(=C2)N

InChI

InChI=1S/C12H12N2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H,13H2

InChIKey

VJTZHXQAZLGBHV-UHFFFAOYSA-N

LogP

3.0124000000000013

Topological Polar Surface Area

38.05 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

164

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-N-phenylbenzene-1,3-diamine
NCGC00321807-01
Oprea1_152187
AB00592846-08
N1-Phenylbenzene-1,3-diamine
FT-0676640
Oprea1_517217
CHEMBL1490262
1,3-Benzenediamine, N-phenyl-
HMS2689A11
SR-01000409123-1
m-Aminodiphenylamin
N-phenylbenzene-1,3-diamine
BB 0259245
5840-03-9
AKOS000308727
N-(3-Aminophenyl)-N-phenylamine
SY265414
N1-Phenylbenzene-1,3-diamine;N-Phenyl-benzene-1,3-diamine;N-(3-Aminophenyl)-N-phenylamine
EU-0069126
N-Phenyl-benzene-1,3-diamine
EN300-34150
MLS000713019
(3-CARBOXYPROPYL)TRIMETHYLAMMONIUMCHLORIDE
n-(m-aminophenyl)aniline
SCHEMBL809316
N~1~-Phenylbenzene-1,3-diamine
MFCD00561778
SMR000282786
N1-Phenyl-1,3-benzenediamine
DTXSID20350670

MDL Number

MFCD00561778

FAQ

What are the physical and chemical properties of N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9)?

N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9) is a white crystalline solid with a molecular weight of approximately 168.22 g/mol. It is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo mild oxidation reactions in the presence of air and light.

How is N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9) typically synthesized?

N-Phenyl-1,3-benzenediamine is typically synthesized through the amination of 1,3-dibromobenzene with phenylamine. The reaction is conducted in the presence of a base such as sodium hydroxide and a catalyst like potassium iodide to enhance the reactivity. The yield is generally around 75-85%, with good selectivity towards the desired diamine product.

What industries use N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9)?

N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of special coatings and resins, and in the electronics industry for the fabrication of sensors and semiconductors. Its use in these industries leverages its unique chemical properties and stability.

What precautions should be taken when handling N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9)?

When handling N-Phenyl-1,3-benzenediamine (CAS: 5840-03-9), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The material should be stored in a well-ventilated area and handled in a fume hood to minimize exposure to air and light. In case of a spill, sweep up the material carefully and dispose of it according to the Material Safety Data Sheet (MSDS/SDS) guidelines.