4-Bromo-3,5-difluorophenol

Basic Information

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CAS Number

130191-91-2

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

72-76°C

Boiling Point

228℃ at 760 mmHg

Flash Point

91.7℃

Solubility

Sparingly Soluble (8.2E-5 g/L) (25°C).

SMILES

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

InChI

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

InChIKey

HHGOLZGZHXELSW-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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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Hygroscopic

Synonyms & References

English

Phenol, 4-bromo-3,5-difluoro-
FT-0645223
AM61290
EN300-175257
2,6-Difluoro-4-hydroxybromobenzene
SCHEMBL1575301
4-Bromo-3,5-difluorophenol, 98%
MFCD08062385
AKOS005254745
AS-10343
4-bromo-3,5-difluoro-phenol
130191-91-2
SY002889
AC-2779
4-Bromo-3,5-difluorophenol
HHGOLZGZHXELSW-UHFFFAOYSA-N
J-005758
DTXSID40428269
J-514704
CS-W015184
4-bromo-3,5-difluoropheno
Phenol,4-bromo-3,5-difluoro-
4-bromo-3,5-difluorophenol

MDL Number

MFCD08062385

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 4-Bromo-3,5-difluorophenol (CAS: 130191-91-2)?

4-Bromo-3,5-difluorophenol is a white to off-white crystalline solid with a molecular weight of approximately 246.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive compared to its brominated counterparts but can undergo typical electrophilic aromatic substitution reactions. Its physical properties include a melting point of 68-69°C and a boiling point of around 250°C.

How is 4-Bromo-3,5-difluorophenol (CAS: 130191-91-2) typically synthesized?

4-Bromo-3,5-difluorophenol is typically synthesized by bromination of 3,5-difluorophenol. The reaction usually involves the use of N-bromosuccinimide (NBS) as the brominating agent in the presence of a radical initiator such as benzoyl peroxide. The yield can be up to 75% with high selectivity, and the reaction is conducted at room temperature to avoid side reactions.

What industries use 4-Bromo-3,5-difluorophenol (CAS: 130191-91-2)?

4-Bromo-3,5-difluorophenol is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of sensors and in the development of materials for semiconductors. Due to its chemical properties, it is used in the manufacture of various organic compounds and as an intermediate in polymer chemistry.

What precautions should be taken when handling 4-Bromo-3,5-difluorophenol (CAS: 130191-91-2)?

When handling 4-Bromo-3,5-difluorophenol, it is essential to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation of the vapor. Spills should be immediately cleaned up using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) for 4-Bromo-3,5-difluorophenol (CAS: 130191-91-2).