2,2,2-Trifluoro-1,1-ethanediol

Basic Information

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CAS Number

421-53-4

Molecular Formula

C2H3F3O2

Molecular Weight

116.04 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

69-70 ºC

Boiling Point

105-106 ºC

Water Solubility

Soluble in water.

Flash Point

39.2±25.9 ºC,

SMILES

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

InChI

InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

VGJWVEYTYIBXIA-UHFFFAOYSA-N

LogP

-0.14059999999999995

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

56.4

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2,2,2-trifluoroethane-1,1-diol
FT-0632110
Trifluoroacetaldehyde hydrate (diol), tech.
A825792
BRN 1736686
EINECS 207-006-4
WLN: QYQXFFF
Trifluoroethanal hydrate
2,2,2-trifluoroethane-1,1-diol;2,2,2-Trifluoro-1,1-ethanediol;2,2,2-trifluoroethanediol;fluoral hydrate
J-506749
Trifluoroacetaldehyde hydrate
Fluoral, hydrate
NS00043802
Acetaldehyde, hydrate
T3654
2,2-Trifluoro-1,1-ethanediol
SCHEMBL27246
2,2,2-Trifluoro-1,1-ethanediol (contains Total ca. 25% Water)
DWG4394PJH
Trifluoroacetaldehyde hydrate, tech., ca 75% in water
AKOS002662632
Trifluoracetaldehyd-hydrat
NSC 146025
Trifluoroacetaldehyde, solution
BCP05623
2,2,2-Trifluoroethanediol
NSC146025
CS-0332345
Acetaldehyde, trifluoro-, hydrate
1, 2,2,2-trifluoro-
2,2,2-Trifluoro-1,1-ethanediol

MDL Number

MFCD00042444

Customs Code

2905590090

FAQ

What are the physical and chemical properties of 2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4)?

2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4) is a colorless, crystalline solid with a molecular weight of approximately 132.04 g/mol. It is moderately soluble in water and ethanol. Chemically, it is highly reactive, particularly towards nucleophiles and bases. This compound is used in organic synthesis due to its reactivity and unique electronic properties.

How is 2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4) typically synthesized?

2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4) is typically synthesized via hydrogen fluoride (HF) or trifluoroacetic anhydride (TFAA) reactions. The process involves the reaction of ethylene oxide with hydrogen fluoride, followed by base-catalyzed hydrolysis. Alternatively, the direct reaction of trifluoroacetic anhydride with ethylene glycol yields the desired product with high selectivity and yield.

What industries use 2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4)?

2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4) is widely utilized in the pharmaceutical industry for synthesizing drug intermediates, in polymer synthesis for producing fluorinated polymers, and in the development of sensor technologies and semiconductor materials due to its unique electronic properties.

What precautions should be taken when handling 2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4)?

When handling 2,2,2-Trifluoro-1,1-ethanediol (CAS: 421-53-4), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. Always perform reactions in a well-ventilated fume hood to minimize exposure to fumes. In case of spill, immediately clean up with appropriate absorbent materials and consult the Material Safety Data Sheet (MSDS) for detailed spill procedures. Follow all laboratory safety guidelines and maintain proper storage conditions to avoid decomposition and release of toxic gases.