2,2,2-Trifluoro(~2~H_2_)ethan(~2~H)ol

Basic Information

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CAS Number

77253-67-9

Molecular Formula

C2D3F3O

Molecular Weight

103.06 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

−44 °C

Boiling Point

77-80 °C

Density

1.415 g/mL at 25 °C

Refractive Index

n20/D 1.3(lit.)

SMILES

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C(C(F)(F)F)O

InChI

InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D

InChIKey

RHQDFWAXVIIEBN-IDPMSXFZSA-N

LogP

0.541

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

38.5

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 3 Class 3

Sensitiveness

Hygroscopic

Synonyms & References

English

2,2,2-Trifluoroethanol-d3, 99 atom % D, 99% (CP)
MFCD00037682
(1,1-2H2)-2,2,2-Trifluoroetane-1-(2H)ol
AKOS015902782
DTXSID70227989
1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane
SCHEMBL1686156
77253-67-9
RHQDFWAXVIIEBN-IDPMSXFZSA-N
2,2,2-Trifluoroethanol-d3, >=99.5 atom % D
2,2,2-Trifluoroethanol-d3
EINECS 278-649-6
AS-81249
[1,1-2H2]-2,2,2-trifluoroetane-1-[2H]ol
2,2,2-TRIFLUOROETHANOL-D3
2,2,2-TRIFLUOROETHANOL-D3, HIGH ENRICHMENT

MDL Number

MFCD00037682

FAQ

What are the physical and chemical properties of 2,2,2-Trifluoroethanol (CAS: 77253-67-9)?

2,2,2-Trifluoroethanol (CAS: 77253-67-9) is a colorless, hygroscopic liquid with a pungent odor. Its molecular weight is approximately 106.07 g/mol. This compound is soluble in water and organic solvents. It is moderately reactive, particularly with acids, which can lead to the formation of fluoroacetates. It has a high boiling point of around 126°C and a low melting point of -39°C. It is used in the synthesis of various fluorinated compounds and as a solvent in organic reactions.

How is 2,2,2-Trifluoroethanol (CAS: 77253-67-9) typically synthesized?

2,2,2-Trifluoroethanol (CAS: 77253-67-9) is commonly synthesized via hydroboration of 2,2,2-trifluoroethene followed by oxidation. The reaction typically uses diborane as the borane source and a suitable oxidizing agent like sodium hypochlorite or hydrogen peroxide. The yield is generally between 60-80%, and the method is known for its high selectivity towards 2,2,2-trifluoroethanol.

What industries use 2,2,2-Trifluoroethanol (CAS: 77253-67-9)?

2,2,2-Trifluoroethanol (CAS: 77253-67-9) is widely used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs). It is also utilized in the polymer industry as a monomer for the production of fluoropolymers. In the electronics sector, it serves as a component in semiconductor manufacturing processes. Additionally, it is employed in the manufacturing of fluorochemicals and as a solvent in various organic reactions.

What precautions should be taken when handling 2,2,2-Trifluoroethanol (CAS: 77253-67-9)?

When handling 2,2,2-Trifluoroethanol (CAS: 77253-67-9), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize exposure to vapor. Proper disposal methods should be followed, and spills should be cleaned up using appropriate materials. Always refer to the safety data sheet (SDS) for detailed guidelines on handling and storage to ensure safe laboratory practices.