(±)-α-(Trifluoromethyl)benzyl alcohol - CAS 340-05-6

Catalog:	BB021930
Product Name:	(±)-α-(Trifluoromethyl)benzyl alcohol
CAS:	340-05-6
Synonyms:	0

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-phenylethanol
Description:	(±)-α-(Trifluoromethyl)benzyl alcohol (CAS# 340-05-6) is a useful research chemical.
Molecular Weight:	176.14
Molecular Formula:	0
Canonical SMILES:	0
InChI:	0
InChI Key:	0
Boiling Point:	189.7 °C at 760 mmHg
Purity:	95 %
Density:	1.295 g/cm³
LogP:	2.28230

Publication Number	Title	Priority Date
US-11034655-B1	Compounds for inhibiting the activity of SARS-COV-2 spike glycoprotein	20200809
WO-2021108483-A1	Therapeutic compounds	20191127
WO-2021094525-A1	Process for polymerising lactide using a liquid catalyst formulation	20191115
WO-2021041976-A1	Perk inhibiting indolinyl compounds	20190829
CN-110358038-A	A kind of fluorine-containing polyamide and preparation method thereof	20190702

PMID	Publication Date	Title	Journal
22932689	20121104	Chiral recognition in metal-organic frameworks studied by solid-state NMR spectroscopy using chiral solvating agents	Chemical communications (Cambridge, England)
22055107	20120101	Characterization and further stabilization of a new anti-prelog specific alcohol dehydrogenase from Thermus thermophilus HB27 for asymmetric reduction of carbonyl compounds	Bioresource technology
19810745	20091231	Enantioselective HF loss promoted by resonant two-photon ionization of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol clusters	The journal of physical chemistry. A
19156320	20090207	NMR and molecular modeling of the dimeric self-association of the enantiomers of 1,1'-bi-2-naphthol and 1-phenyl-2,2,2-trifluoroethanol in the solution state and their relevance to enantiomer self-disproportionation on achiral-phase chromatography (ESDAC)	Organic & biomolecular chemistry
17983210	20071213	Monosolvation of R-1-phenyl-2,2,2-trifluoroethanol with amines: configurational effects on the excitation, ionization, and fragmentation of diastereomeric complexes	The journal of physical chemistry. A

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[35989-28-7]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.04489933
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.04489933
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2