4-Nitro-N,N-bis(4-nitrophenyl)aniline

Basic Information

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CAS Number

20440-93-1

Molecular Formula

C18H12N4O6

Molecular Weight

380.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

280°C

Boiling Point

594℃ at 760 mmHg

Density

1.4840

Flash Point

313.1 °C

Refractive Index

1.706

SMILES

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C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H

InChIKey

LSNJBIDKQIRWRQ-UHFFFAOYSA-N

LogP

4.881000000000004

Topological Polar Surface Area

132.66000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

481

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Tris(p-nitrophenyl)amine
DTXSID0066610
4-nitro-n,n-bis(4-nitrophenyl)aniline
1,2-bis(o-tolyl)-1,2-diphenyl-ethane-1,2-diol;Tris(4-nitrophenyl)amine
AS-15236
SCHEMBL310828
FT-0637997
A814563
4-Nitro-N,N-bis(4-nitrophenyl)benzenamine
Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
Tris(4-nitrophenyl)amine, technical grade
CS-0157621
AC2633
Tris(4-nitrophenyl)amine
AKOS015833765
tri(4-nitrophenyl)amine
20440-93-1
SY005745
AC-7329
T2333
C18H12N4O6
MFCD00024636
NS00026626
4-CHLOROBENZYL2-HYDROXYETHYLSULFIDE
AKOS025395668
4-nitro-N,N-bis(4-nitrophenyl)aniline
TRIS(4-NITROPHENYL)AMINE TECH.
Tris(p-nitrophenyl)a
4,4',4''-trinitrophenylamine
4,4',4'-trinitrotriphenylamine
Triphenylamine,4,4',4''-trinitro- (6CI,7CI,8CI)

MDL Number

MFCD00024636

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 4-Nitro-N,N-bis(4-nitrophenyl)aniline (CAS: 20440-93-1)?

4-Nitro-N,N-bis(4-nitrophenyl)aniline is a crystalline compound with a molecular weight of approximately 332.07 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is practically insoluble in water. This compound is known for its high reactivity due to the presence of multiple nitro groups, which can participate in various chemical reactions such as nucleophilic aromatic substitution and electrophilic addition.

How is 4-Nitro-N,N-bis(4-nitrophenyl)aniline (CAS: 20440-93-1) typically synthesized?

4-Nitro-N,N-bis(4-nitrophenyl)aniline is typically synthesized through a multi-step process involving the condensation of 4-nitroaniline with 4-nitrophenol. This process often requires the use of a catalyst such as concentrated sulfuric acid to facilitate the coupling reaction. The yield and selectivity of the synthesis can be improved by optimizing reaction conditions, including temperature and reaction time.

What industries use 4-Nitro-N,N-bis(4-nitrophenyl)aniline (CAS: 20440-93-1)?

4-Nitro-N,N-bis(4-nitrophenyl)aniline is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drug molecules. It also finds applications in the production of dyes and pigments due to its inherent coloring properties. Additionally, this compound is utilized in the development of sensors and semiconductor materials for its electronic and optical properties.

What precautions should be taken when handling 4-Nitro-N,N-bis(4-nitrophenyl)aniline (CAS: 20440-93-1)?

Proper handling of 4-Nitro-N,N-bis(4-nitrophenyl)aniline requires the use of personal protective equipment (PPE) including gloves, safety goggles, and a lab coat to protect against skin and eye exposure. This compound should be handled in a well-ventilated area or fume hood to minimize inhalation risk. In case of a spill, it is recommended to use appropriate spill cleanup materials and follow the manufacturer's safety data sheet (SDS) for disposal and cleanup procedures.