2,3,5,6-Tetrafluorophenol

Basic Information

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CAS Number

769-39-1

Molecular Formula

C6H2F4O

Molecular Weight

166.07 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

37-39 °C

Boiling Point

146°C

Density

1.4445 (estimate)

Water Solubility

Partly miscible with water.

Refractive Index

1.449

SMILES

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

InChI

InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey

PBYIIRLNRCVTMQ-UHFFFAOYSA-N

LogP

1.9485999999999997

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

129

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 8 Class 8

Stability

Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.

Synonyms & References

English

A838908
Phenol, 2,3,5,6-tetrafluoro-
NCIOpen2_001485
NS00042130
2,3,5,6-TETRAFLUORO PHENOL
DTXSID60227695
UNII-TNA118I5TG
2,3,5,6-Tetrafluorophenol, 97%
2,3,5,6-Tetrafluorophenol
Q27290037
T1030
NSC-88309
AKOS000121601
AM20041143
SCHEMBL78211
NSC 88309
TETRAFLUOROPHENOL, 2,3,5,6-
BP-23849
1,2,4,5-TETRAFLUORO-3-HYDROXYBENZENE
EINECS 212-209-6
EN300-16618
InChI=1/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
TNA118I5TG
CCRIS 5843
Z56347222
BP-20534
PBYIIRLNRCVTMQ-UHFFFAOYSA-
PS-10195
769-39-1
CS-W017880
SY033481

MDL Number

MFCD00002157

FAQ

What regulatory guidelines apply to 2,3,5,6-Tetrafluorophenol (CAS: 769-39-1)?

2,3,5,6-Tetrafluorophenol (CAS: 769-39-1) falls under the Globally Harmonized System (GHS) of Classification and Labeling of Chemicals. It is classified as a toxic substance. Under REACH regulations, it is classified as a substance of very high concern (SVHC). In the USA, it is regulated under the Toxic Substances Control Act (TSCA) by the EPA, requiring notification and reporting. It is also subject to FDA regulations for any potential use in pharmaceutical or food contact applications.

Are there alternatives to 2,3,5,6-Tetrafluorophenol (CAS: 769-39-1) in synthesis?

2,3,5,6-Tetrafluorophenol (CAS: 769-39-1) can be synthesized using various precursors like 2,3,5-trifluorophenol. Common alternatives include 2,4,5,6-tetrafluorophenol and 2,3,4,5-tetrafluorophenol. In some cases, 4-fluorophenol can be a viable substitute depending on the reaction conditions and desired product properties.

What is the market or research trend for 2,3,5,6-Tetrafluorophenol (CAS: 769-39-1)?

The market for 2,3,5,6-Tetrafluorophenol (CAS: 769-39-1) is driven by its use in pharmaceuticals, electronic chemicals, and flame retardants. Recent research trends focus on its application in high-performance polymers and as an intermediate in organic synthesis. The demand is expected to grow with advancements in these fields. Additionally, there is increasing interest in its potential environmental impact and sustainability in manufacturing processes.

How should waste containing 2,3,5,6-Tetrafluorophenol (CAS: 769-39-1) be handled?

Waste containing 2,3,5,6-Tetrafluorophenol (CAS: 769-39-1) should be handled according to hazardous waste disposal regulations. It should be collected in appropriate containers and stored in a well-ventilated, cool place away from incompatible materials. For disposal, professional waste management companies specializing in hazardous substances should be contacted. Incineration is a common method, but it must be done under controlled conditions. Proper environmental protection precautions, including personal protective equipment and emergency response plans, should be implemented to prevent environmental contamination.