4-Bromo-3-fluorophenol

Basic Information

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CAS Number

121219-03-2

Molecular Formula

C6H4BrFO

Molecular Weight

191 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

71.0 to 75.0 deg-C

Boiling Point

96°C/2.8mmHg

Density

1.764 3

Flash Point

231.5 °C at 760 mmHg

Refractive Index

1.575

SMILES

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C1=CC(=C(C=C1O)F)Br

InChI

InChI=1S/C6H4BrFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

InChIKey

MRQYTJXVULSNIS-UHFFFAOYSA-N

LogP

2.2938

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

99.1

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

BCP05735
AC-3762
DTXSID10381296
3-Fluoro-4-bromophenol
1-bromo-2-fluoro-4-hydroxybenzene
AM20060197
B3688
Z1154597041
MRQYTJXVULSNIS-UHFFFAOYSA-N
4-bromo-3-fluoro-phenol
FT-0612033
4-bromo-3-fluoro phenol
Phenol, 4-bromo-3-fluoro-
121219-03-2
HYDROCODONEHYDROCHLORIDE
CS-W008805
3-fluoro-4-bromo phenol
MFCD00051907
4-Bromo-3-fluorophenol
AKOS005063848
4-bromo-5-fluoro-phenol
PS-8364
SY022614
EN300-75451
SCHEMBL177370
4-bromo-3-flourophenol
W-200953
3-fluoro-4-bromo-phenol
4-Bromo-3-fluorophenol, AldrichCPR
3-FLUORO-4-BROMOPHENOL
2-fluoro-4-hydroxybromobenzene

MDL Number

MFCD00051907

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 4-Bromo-3-fluorophenol (CAS: 121219-03-2)?

4-Bromo-3-fluorophenol (CAS: 121219-03-2) is a white crystalline solid with a molecular weight of approximately 219.03 g/mol. It has a pKa of about 9.35 and is slightly soluble in water (solubility around 0.1 g/L at 25°C). The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored away from moisture and heat sources.

How is 4-Bromo-3-fluorophenol (CAS: 121219-03-2) typically synthesized?

4-Bromo-3-fluorophenol (CAS: 121219-03-2) can be synthesized via the bromination of 3-fluorophenol using bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is typically carried out in a non-aqueous solvent like dichloromethane. The yield is usually around 70-80%, and the method is selective for the bromination of the phenolic hydroxyl group.

What industries use 4-Bromo-3-fluorophenol (CAS: 121219-03-2)?

4-Bromo-3-fluorophenol (CAS: 121219-03-2) is used in various industries. It serves as a precursor in the pharmaceutical industry for the synthesis of certain drugs. In the polymer industry, it can be utilized as a monomer or additive. Additionally, it finds applications in the development of sensors and as a reagent in analytical chemistry. The compound's unique chemical properties make it valuable in these sectors.

What precautions should be taken when handling 4-Bromo-3-fluorophenol (CAS: 121219-03-2)?

When handling 4-Bromo-3-fluorophenol (CAS: 121219-03-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation of the vapor. Spills should be contained and cleaned up using appropriate procedures. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions. The compound can irritate the skin and eyes, and prolonged exposure may cause health issues.