4-Bromo-2,6-difluorophenol

Basic Information

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CAS Number

104197-13-9

Molecular Formula

C6H3BrF2O

Molecular Weight

208.99 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

50-60°C

Boiling Point

180.2℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

GPRPSJPFAAGLCA-UHFFFAOYSA-N

LogP

2.4329

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

110

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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 IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL13029
DTXSID10371253
AS-17680
EN300-211087
2,6 difluoro-4-bromophenol
AKOS015889715
104197-13-9
J-507468
CS-W015183
AM20020134
4-Bromo-2,6-difluorophenol
MFCD00236213
SY030398
Z1269203150
2,6-difluoro-4-bromophenol
GPRPSJPFAAGLCA-UHFFFAOYSA-N
4-bromo-2,6-difluoro-phenol
AC-1586
2,6-difluoro-4-bromo-phenol
Phenol, 4-bromo-2,6-difluoro-
FT-0617742
4-BROMO-2,6-DIFLUOROPHENOL
2,6-Difluoro-4-Bromophenol 4-Bromo-2,6-Difluoro Phenol
2,6-Difluoro-4-bromophenol
4-Bromo-2,6-difluorophenol98%
4-Bromo-2,6-difluorophenol 98%

MDL Number

MFCD00236213

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 4-Bromo-2,6-difluorophenol (CAS: 104197-13-9)?

4-Bromo-2,6-difluorophenol (CAS: 104197-13-9) is a white or off-white crystalline solid with a molecular weight of approximately 231.03 g/mol. It has a low solubility in water, with a value of around 0.01 g/L at 25°C. It is not highly reactive under normal conditions, but it can undergo bromination and other substitution reactions. The compound is stable under normal storage conditions but should be protected from light and moisture.

How is 4-Bromo-2,6-difluorophenol (CAS: 104197-13-9) typically synthesized?

4-Bromo-2,6-difluorophenol (CAS: 104197-13-9) is usually synthesized through a multi-step process involving bromination of 2,6-difluorophenol followed by an electrophilic aromatic substitution. The reaction typically requires a Lewis acid catalyst such as aluminum bromide (AlBr3) and is conducted in an anhydrous environment. The yield can be around 50-70%, depending on the optimization of the reaction conditions.

What industries use 4-Bromo-2,6-difluorophenol (CAS: 104197-13-9)?

4-Bromo-2,6-difluorophenol (CAS: 104197-13-9) is used primarily in the pharmaceutical industry for the synthesis of certain drugs due to its unique chemical structure. It is also utilized in the polymer industry for the production of specialty polymers, in the semiconductor industry for the fabrication of electronic materials, and in sensor technology for its detection properties.

What precautions should be taken when handling 4-Bromo-2,6-difluorophenol (CAS: 104197-13-9)?

When handling 4-Bromo-2,6-difluorophenol (CAS: 104197-13-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a fume hood to minimize exposure to vapors. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and storage information.