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2968-93-6

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2968-93-6 Structure

2968-93-6 Structure
IdentificationBack Directory
[Name]

4-(TRIFLUOROMETHYL)PHENETHYL ALCOHOL
[CAS]

2968-93-6
[Synonyms]

Benzeneethanol, 4-(trifluoromethyl)-
2-[4-(trifluoromethyl)phenyl]ethan-1-ol
4-(Trifluoromethyl)phenethyl alcohol 97%
[Molecular Formula]

C9H9F3O
[MDL Number]

MFCD06411331
[MOL File]

2968-93-6.mol
[Molecular Weight]

190.16
Chemical PropertiesBack Directory
[Boiling point ]

218.2±35.0 °C(Predicted)
[density ]

1.253 g/mL at 25 °C (lit.)
[refractive index ]

n20/D 1.463(lit.)
[Fp ]

52 °C
[storage temp. ]

2-8°C
[pka]

14.69±0.10(Predicted)
[Appearance]

Colorless to pink Liquid
[InChI]

1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2
[InChIKey]

SXMYWTQEZRZKBK-UHFFFAOYSA-N
[SMILES]

OCCc1ccc(cc1)C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26-36
[WGK Germany ]

2
[HS Code ]

2906290090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

4-(Trifluoromethyl)-benzeneethanol is an intermediate used to prepare substituted phenylpropanoic acid derivatives as selective human PPARα activators.It is also used to synthesize PI3Kγ-kinase inhibitors.
[References]

[1] Patent: WO2005/49613, 2005, A1. Location in patent: Page/Page column 48-49
[2] European Journal of Organic Chemistry, 2016, vol. 2016, # 35, p. 5803 - 5806
[3] Patent: WO2006/120481, 2006, A2. Location in patent: Page/Page column 19
[4] Patent: US2009/227640, 2009, A1. Location in patent: Page/Page column 49
[5] Patent: US2009/291993, 2009, A1. Location in patent: Page/Page column 12; 21
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHYL)PHENETHYL ALCOHOL(2968-93-6)1HNMR
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