4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol

Basic Information

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CAS Number

836-79-3

Molecular Formula

C9H6F6O2

Molecular Weight

260.13 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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OC1=CC=C(C(C(F)(F)F)(O)C(F)(F)F)C=C1

InChI

InChI=1S/C9H6F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,16-17H

InChIKey

XBQISEWBYMWLET-UHFFFAOYSA-N

LogP

2.7044000000000006

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Benzenemethanol,4-hydroxy-a,a-bis(trifluoromethyl)-
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
1,1,1,3,3,3-HEXAFLUORO-2-(4-HYDROXYPHENYL)PROPAN-2-OL
4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROP-2-YL)PHENOL

MDL Number

MFCD01050148

Customs Code

2908199090

FAQ

What regulatory guidelines apply to 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3)?

4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3) is classified as a hazardous substance under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It falls under Category 2 for skin corrosion/irritation and Category 2 for serious eye damage/eye irritation. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) and may require Authorisation for certain uses. In the United States, it is subject to stringent controls by the FDA and EPA, including proper labeling and handling instructions.

Are there alternatives to 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3) in synthesis?

There are several alternatives to 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3) in synthesis. Common substitutes include 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropoxy)benzene and 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropoxy)toluene. These compounds offer similar functional groups but may have different solubility, reactivity, and toxicity profiles. The choice of alternative depends on the specific synthesis requirements, including desired product properties and environmental and safety considerations.

What is the market or research trend for 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3)?

The market for 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3) is primarily driven by its use in the pharmaceutical and agrochemical industries. Research trends are focusing on developing safer, more sustainable alternatives due to its hazardous properties. Emerging trends include the exploration of related fluorochemicals that can be used in eco-friendly formulations. The demand is also influenced by regulatory changes and the need for biodegradable and less toxic compounds in various applications.

How should waste containing 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3) be handled?

Waste containing 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)phenol (CAS: 836-79-3) should be handled according to strict environmental protection guidelines. It should be collected in designated containers, labeled appropriately, and stored safely to prevent leakage. Proper incineration is the preferred method for disposal, but professional waste disposal services are recommended due to its hazardous nature. Handling should be done by trained personnel wearing appropriate personal protective equipment (PPE). Compliance with local hazardous waste regulations is essential to ensure environmental safety.