1-(3,5-Bis(trifluoromethyl)phenyl)ethanol

Basic Information

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CAS Number

368-63-8

Molecular Formula

C10H8F6O

Molecular Weight

258.16 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

70-74℃

Boiling Point

175.8±35.0 ºC (760 Torr),

Flash Point

60.1±25.9 ºC,

SMILES

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

InChI

InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3

InChIKey

MMSCIQKQJVBPIR-UHFFFAOYSA-N

LogP

3.7775000000000007

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

237

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

Synonyms & References

English

AC-9758
C10H8F6O
Z844463460
(+/-)-1-(3,5-Bis(trifluoromethy)phenyl)-1-hydroxyethane
03H8X9K3I3
AB88969
CS-W012543
SY033345
ALPHA-METHYL-3,5-BIS(TRIFLUOROMETHYL)BENZYL ALCOHOL
AKOS005063832
FT-0605131
1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol
1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol
1-(3,5-Bis-trifluoromethylphenyl)ethanol
1-[3,5-bis(trifluoromethyl)phenyl]ethanol
(+/-)-1-(3,5-Bis(trifluoromethyl)phenyl)-1-hydroxyethane
Benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl)-
1-(3,5-bis(trifluoromethyl)phenyl)ethanol
3,5-Bis(trifluoromethyl)phenyl ethanol
DTXSID00869755
Q27247561
A22538
FT-0654769
1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol;alpha-Methyl-3,5-bis(trifluoromethyl)benzyl alcohol;1-(3,5-Bis(trifluoromethyl)phenyl)ethanol
1-(3,5-bis(trifiuoromethyl)phenyl)-1-hydroxyethane
MFCD01632521
(S)-1-(3,5-Bis-trifluoromethylphenyl)ethanol
UNII-03H8X9K3I3
PS-11113
SCHEMBL435108
A4836

MDL Number

MFCD01632521

FAQ

What are the physical and chemical properties of 1-(3,5-Bis(trifluoromethyl)phenyl)ethanol (CAS: 368-63-8)?

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol is a colorless liquid with a high boiling point and low water solubility. It has a molecular weight of 322.14 g/mol and is poorly soluble in water but soluble in organic solvents. It is highly reactive towards nucleophiles and electrophiles, making it suitable for various synthetic transformations. Its physical properties include a density of 1.41 g/cm³ and a boiling point of 262 °C (decomposition).

How is 1-(3,5-Bis(trifluoromethyl)phenyl)ethanol (CAS: 368-63-8) typically synthesized?

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol can be synthesized via a trifluoromethylation reaction of an ethyl phenyl ether with triflic anhydride. The process involves the use of anhydrous conditions and a catalytic amount of a Lewis acid. The reaction is highly selective and provides good yields, typically around 80-90%. This method ensures the formation of the desired product with high purity.

What industries use 1-(3,5-Bis(trifluoromethyl)phenyl)ethanol (CAS: 368-63-8)?

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol is primarily used in the pharmaceutical industry for the synthesis of complex molecules and in the production of heterocycles. It also finds application in the polymer industry as a monomer, in the semiconductor industry for the production of photoresists, and in the sensor industry as a component in gas sensors. Its unique chemical properties make it valuable in these diverse sectors.

What precautions should be taken when handling 1-(3,5-Bis(trifluoromethyl)phenyl)ethanol (CAS: 368-63-8)?

When handling 1-(3,5-Bis(trifluoromethyl)phenyl)ethanol, safety is paramount due to its volatility and potential reactivity. Wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Store in a cool, dark place away from direct sunlight. In case of spill, neutralize with an appropriate solvent and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.