4-Bromo-N-phenylaniline

Basic Information

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CAS Number

54446-36-5

Molecular Formula

C12H10BrN

Molecular Weight

248.12 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

85.0 to 89.0 deg-C

Boiling Point

318°C

Density

1.1600

Flash Point

159.8±23.2 °C

Refractive Index

1.659

SMILES

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

InChI

InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

InChIKey

CCIVUDMVXNBUCY-UHFFFAOYSA-N

LogP

4.192700000000001

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

158

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

H411

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

A830184
Benzenamine, 4-bromo-N-phenyl-
B3949
(4-BROMO-PHENYL)-PHENYL-AMINE
AMY18009
(4-bromophenyl)phenylamine
FT-0640252
54446-36-5
4-Bromodiphenylamine
DS-0944
4-Bromodiphenylamine, 97%
SCHEMBL490926
MFCD07779504
DTXSID10423761
AKOS015915400
AB42496
CS-W008122
N-(4-BROMOPHENYL)ANILINE
O11193
EN300-7358812
4-bromo-N-phenylaniline
Z1269229478
SY052873
J-514815
4-Bromo-N-phenylaniline
4-BROMODIPHENYLAMINE
1-(4-BROMOPHENYL)ANILINE
N-PHENYL-4-BROMOANILINE
N-(4-Bromophenyl)aniline
4-Bromo-N-phenylbenzenamine
CCIVUDMVXNBUCY-UHFFFAOYSA-N

MDL Number

MFCD07779504

Customs Code

2921440000

FAQ

What are the physical and chemical properties of 4-Bromo-N-phenylaniline (CAS: 54446-36-5)?

4-Bromo-N-phenylaniline (CAS: 54446-36-5) is a crystalline solid with a molecular weight of approximately 236.17 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it shows good reactivity towards nucleophiles and electrophiles, making it useful in various synthetic transformations. It is stable under normal conditions but should be protected from moisture and air to prevent degradation.

How is 4-Bromo-N-phenylaniline (CAS: 54446-36-5) typically synthesized?

4-Bromo-N-phenylaniline is typically synthesized by reacting anisidine with bromine in the presence of an appropriate Lewis acid catalyst, such as aluminum bromide. The reaction provides good yield and selectivity, with the key step involving electrophilic aromatic substitution. The product can then be purified by recrystallization or other chromatographic techniques.

What industries use 4-Bromo-N-phenylaniline (CAS: 54446-36-5)?

4-Bromo-N-phenylaniline (CAS: 54446-36-5) is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the polymer industry for the production of specific polymers and in the development of sensors due to its reactivity and stability under specific conditions. Additionally, it is utilized in the semiconductor industry for its unique electronic properties.

What precautions should be taken when handling 4-Bromo-N-phenylaniline (CAS: 54446-36-5)?

When handling 4-Bromo-N-phenylaniline (CAS: 54446-36-5), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and lab coats to protect against potential skin and eye contact. The substance should be stored in a fume hood or a well-ventilated area to minimize inhalation risks. In case of spill, immediately clean up with appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.