2-Bromo-4,6-difluoroaniline

Basic Information

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CAS Number

444-14-4

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

Melting Point

40.0 to 42.0 deg-C

Boiling Point

208 °C at 760 mmHg

Water Solubility

Insoluble in water.

Refractive Index

1.5320 (estimate)

SMILES

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C1=C(C=C(C(=C1F)N)Br)F

InChI

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

InChIKey

WUJKFVGKLTWVSQ-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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GHS Hazard Pictograms

H228

H302

H312

H315

H319

H332

H335

Hazard Statement

H228 Flammable solid
Flammable solids

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

Hazard Class

Class 9 Class 9

Synonyms & References

English

SB77418
InChI=1/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
2-bromanyl-4,6-bis(fluoranyl)aniline
2-Bromo-4,6-difluoro-phenylamine
A826570
AS-15016
WUJKFVGKLTWVSQ-UHFFFAOYSA-
F0001-1207
AKOS000111229
DTXSID00196154
EN300-20938
SY022848
CS-W015243
6-bromo-2,4-difluoroaniline
AC-3647
MFCD00009639
AM61979
NSC93389
SCHEMBL78688
BB 0245919
2-Bromo-4,6-difluoroaniline, 97%
444-14-4
Benzenamine, 2-bromo-4,6-difluoro-
NSC-93389
A7050
2-Bromo-4,6-Difluoroaniline
NCIOpen2_005827
NSC 93389
B1288
2,4-difluoro-6-bromoaniline
FT-0611432

MDL Number

MFCD00009639

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-4,6-difluoroaniline (CAS: 444-14-4)?

2-Bromo-4,6-difluoroaniline is a crystalline solid with a molecular weight of 235.01 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is chemically reactive, particularly towards nucleophiles and reducing agents.

How is 2-Bromo-4,6-difluoroaniline (CAS: 444-14-4) typically synthesized?

2-Bromo-4,6-difluoroaniline is typically synthesized via the reaction of 4,6-difluoroaniline with bromine in the presence of a suitable Lewis acid catalyst. The reaction yields a high selectivity towards the brominated product, with a yield ranging from 70% to 90%.

What industries use 2-Bromo-4,6-difluoroaniline (CAS: 444-14-4)?

2-Bromo-4,6-difluoroaniline is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various pharmaceutical compounds and is also utilized in the formulation of certain polymer additives and sensors.

What precautions should be taken when handling 2-Bromo-4,6-difluoroaniline (CAS: 444-14-4)?

When handling 2-Bromo-4,6-difluoroaniline, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, neutralize with sodium bicarbonate and dispose of according to local regulations. Consult the Safety Data Sheet (SDS) for detailed guidelines.