(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

Basic Information

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CAS Number

225920-05-8

Molecular Formula

C10H8F6O

Molecular Weight

258.16 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

53.0 to 57.0 deg-C

Boiling Point

223.5°C at 760 mmHg

Specific Rotation

-20.8° (c=100mg/10mL chloroform)

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/t5-/m0/s1

InChIKey

MMSCIQKQJVBPIR-YFKPBYRVSA-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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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

225920-05-8
C10H8F6O
EN300-1939050
DTXSID00431239
S-MBT-PEL
(s)-3,5-bistrifluoromethylphenyl ethanol
(S)-1-[3',5'-bis(trifluoromethyl)phenyl]ethanol
(alphaS)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
(S)-1-(3,5-Bistrifluoromethylphenyl)ethanol
(S)-1-[3,5-bis(trifluoromethyl)-phenyl]ethanol
(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol
B5244
BCP06812
(S)-1-[3,5-bis (trifluoromethyl)phenyl]ethanol
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol
1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, (S)-
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol
(S)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol
2WG6WYZ6K3
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
AC-9533
(1S)-1[3,5-bis(trifluoromethyl)phenyl]ethane-1-ol
(S)-1-(3,5-Bis-trifluoromethylphenyl)ethanol
Benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl)-, (alphaS)-
CS-0077092
(S)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol
(S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol
MFCD03093011
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
SCHEMBL99424
PS-7385

MDL Number

MFCD03093011

Customs Code

2906299090

FAQ

What are the physical and chemical properties of (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS: 225920-05-8)?

(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is a colorless or white crystalline solid with a molecular weight of approximately 262.11 g/mol. It has a low solubility in water (less than 1 g/L) but is more soluble in organic solvents like dichloromethane and acetone. The compound is known for its high reactivity, particularly with transition metals and strong acids.

How is (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS: 225920-05-8) typically synthesized?

(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is typically synthesized via stereoselective reduction of (1R,3S)-1-(3,5-bis(trifluoromethyl)phenyl)-2,2-difluoroethylene. Commonly, this involves the use of lithium aluminum hydride (LAH) as a reducing agent under anhydrous conditions in ether. The reaction is carried out at low temperatures to achieve high selectivity and yield.

What industries use (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS: 225920-05-8)?

(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is utilized in the pharmaceutical industry for the synthesis of various medicinal compounds. It is also employed in the polymer industry for developing novel materials with specific properties. Additionally, it has applications in sensor technology and semiconductor manufacturing due to its unique chemical characteristics.

What precautions should be taken when handling (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol (CAS: 225920-05-8)?

When handling (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly decontaminated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.