2,5-Difluorophenol

Basic Information

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CAS Number

2713-31-7

Molecular Formula

C6H4F2O

Molecular Weight

130.09 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

40.0 to 44.0 deg-C

Boiling Point

145°C

Refractive Index

1.495

SMILES

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

InChI

InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

INXKVYFOWNAVMU-UHFFFAOYSA-N

LogP

1.6704

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

97.1

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 4.1 Class 4.1

Synonyms & References

English

2713-31-7
J-507342
Phenol,2,5-difluoro-
MFCD00042501
PD180173
53EYY8S7LA
2,5-difluoro-phenol
2,5-Difluorophenol, 95%
CS-D1368
2,5-Bis(fluoranyl)phenol
DTXSID90181594
PS-9150
Z401432098
CCG-325853
BP-20573
EN300-69698
NSC-10288
NSC 10288
AC-3785
phenol derivative, 5
1,4-Difluoro-2-hydroxybenzene
(S)-N-(tert-Butoxycarbonyl)-?-phenylalaninol
A5294
AKOS005257731
UNII-53EYY8S7LA
BDBM26191
NSC10288
CHEMBL261219
SCHEMBL70273
INXKVYFOWNAVMU-UHFFFAOYSA-
AM61876

MDL Number

MFCD00042501

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 2,5-Difluorophenol (CAS: 2713-31-7)?

2,5-Difluorophenol (CAS: 2713-31-7) is a colorless crystalline solid with a molecular weight of approximately 141.04 g/mol. It has a pKa of about 10.3 and is slightly soluble in water. It is reactive towards bases and can undergo substitution reactions. The substance has a density of about 1.25 g/cm³ and a melting point of 45-46°C.

How is 2,5-Difluorophenol (CAS: 2713-31-7) typically synthesized?

2,5-Difluorophenol is typically synthesized by the reduction of 2,5-difluorophenone or through the hydrogenation of 2,5-difluorophenyl ketone. Common methods include the use of hydrogen gas in the presence of a catalyst like palladium on carbon. The reaction is exothermic and selective, yielding a high purity product with good yield.

What industries use 2,5-Difluorophenol (CAS: 2713-31-7)?

2,5-Difluorophenol is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of drugs. It is also utilized in the production of polymers, specifically in the development of thermosetting resins. Additionally, it plays a role in the manufacturing of sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling 2,5-Difluorophenol (CAS: 2713-31-7)?

When handling 2,5-Difluorophenol (CAS: 2713-31-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or fume hood due to its potential to release toxic gases during reactions. Follow strict procedures for spill cleanup and ensure proper storage in a cool, dry place away from incompatible materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.