4-Nitro-N-phenylaniline

Basic Information

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CAS Number

836-30-6

Molecular Formula

C12H10N2O2

Molecular Weight

214.22 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

132-135 °C

Boiling Point

211 ºC (30 mmHg)

Density

1.2042 (rough estimate)

Flash Point

190°C

Refractive Index

1.6660 (estimate)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H

InChIKey

XXYMSQQCBUKFHE-UHFFFAOYSA-N

LogP

3.82

Complexity

226

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

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

Hazard Class

Class 9 Class 9

Synonyms & References

English

5ZOC179N5D
CAS-836-30-6
UNII-5ZOC179N5D
Amine, diphenyl, 4-nitro-
HSDB 5763
4-Nitrodiphenylamine, 99%
NCGC00257118-01
4-Nitro-N-phenylaniline
N-phenyl-N-(4-nitrophenyl)amine
InChI=1/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13
836-30-6
FT-0619232
4-Nitrodifenylamin
NSC 33836
4-NITRODIPHENYLAMINE
WLN: WNR DMR
Benzenamine, 4-nitro-N-phenyl-
BDBM93782
BCP32012
HMS2605G24
(4-nitrophenyl)-phenyl-amine
NSC33836
SCHEMBL224794
Diphenylamine, 4-nitro-
A840617
CCRIS 5174
BRN 2051910
AI3-02915
(4-nitrophenyl)phenylamine
N-(4-Nitrophenyl)-N-phenylamine #
4-Nitro-N-phenylaniline;p-Nitrodiphenylamine;Benzenamine, 4-nitro-N-phenyl-

MDL Number

MFCD00007301

Customs Code

2921440000

FAQ

What are the physical and chemical properties of 4-Nitro-N-phenylaniline (CAS: 836-30-6)?

4-Nitro-N-phenylaniline (CAS: 836-30-6) is a light yellow crystalline solid. Its molecular weight is approximately 228.14 g/mol. It has a melting point of 125-127°C and is slightly soluble in water. This compound is reactive towards nucleophiles and electrophiles. It can undergo nitration, sulfonation, and coupling reactions under appropriate conditions.

How is 4-Nitro-N-phenylaniline (CAS: 836-30-6) typically synthesized?

4-Nitro-N-phenylaniline (CAS: 836-30-6) is commonly synthesized by nitration of N-phenylaniline using concentrated nitric acid and sulfuric acid as the catalyst. The reaction is carried out under carefully controlled conditions to ensure high yield and selectivity. The product can be purified by recrystallization from ethanol or acetone.

What industries use 4-Nitro-N-phenylaniline (CAS: 836-30-6)?

4-Nitro-N-phenylaniline (CAS: 836-30-6) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also used in the production of dyes, pigments, and other organic compounds. Additionally, it has applications in polymers and sensors due to its reactivity and functional groups.

What precautions should be taken when handling 4-Nitro-N-phenylaniline (CAS: 836-30-6)?

When handling 4-Nitro-N-phenylaniline (CAS: 836-30-6), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Fume hoods should be used for any handling or synthesis involving this compound. In case of spillage, it should be cleaned up immediately, and waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.