4-Bromo-2,3-difluoroaniline

Basic Information

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CAS Number

112279-72-8

Molecular Formula

C6H4BrF2N

Molecular Weight

208.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

215.1±35.0 ºC (760 Torr),

Flash Point

83.9±25.9 ºC,

Refractive Index

1.57

SMILES

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C1=CC(=C(C(=C1N)F)F)Br

InChI

InChI=1S/C6H4BrF2N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

InChIKey

UEVLRVBHLWKNEN-UHFFFAOYSA-N

LogP

2.3095

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

122

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

MFCD09030643
4-Bromo-2 pound not3-difluoroaniline
2,3-Difluoro-4-bromo-aniline
4-Bromo-2,3-difluoro-phenylamine
FT-0658595
4-bromo-2,3-difluorobenzenamine
UEVLRVBHLWKNEN-UHFFFAOYSA-N
4-bromo-2,3-difluorophenylamine
4-Bromo-2,3-difluoroaniline;4-Bromo-2,3-difluoroaniline 97%
AKOS005064061
SY046997
Benzenamine, 4-bromo-2,3-difluoro-
A19728
112279-72-8
1-Amino-4-bromo-2,3-difluorobenzene
AM61735
CS-0028730
AC-1566
2,3-difluoro-4-bromoaniline
EN300-199046
4-bromo-2,3-difluoroaniline
DTXSID10562301
SCHEMBL441345
DS-2256
J-506946
4-Bromo-2,3-difluoroaniline
4-Bromo-2,3-difluoroaniline 97%
Benzenamine,4-bromo-2,3-difluoro-
PubChem9887
4-Bromo-2,3-difluoro
4-bromo-2,3-difluoro-aniline

MDL Number

MFCD09030643

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8)?

4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8) is a white crystalline solid with a molecular weight of approximately 228.02 g/mol. It has a low solubility in water (0.1 g/100 mL at 25°C) and is highly soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8) typically synthesized?

4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8) is typically synthesized via a multi-step process involving the bromination of 2,3-difluoroaniline followed by a nitration step. The synthesis involves the use of catalysts such as iron(III) chloride and concentrated sulfuric acid, and the reaction is carried out under anhydrous conditions to achieve high yield and selectivity.

What industries use 4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8)?

4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8) is used in various industries, including pharmaceuticals, where it serves as a key intermediate for the synthesis of drugs. It is also utilized in the production of dyes and pigments, as well as in the development of sensors and semiconductors.

What precautions should be taken when handling 4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8)?

When handling 4-Bromo-2,3-difluoroaniline (CAS: 112279-72-8), safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, it should be cleaned up using appropriate methods as outlined in the Material Safety Data Sheet (MSDS/SDS).