α-(Trifluoromethyl)benzyl alcohol - CAS 340-04-5

Catalog:	BB021927
Product Name:	α-(Trifluoromethyl)benzyl alcohol
CAS:	340-04-5
Synonyms:	2,2,2-trifluoro-1-phenylethanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-phenylethanol
Description:	α-(Trifluoromethyl)benzyl alcohol (CAS# 340-04-5) is a reactant in the preparation of SnO2 nanotube arrays.
Molecular Weight:	176.14
Molecular Formula:	C8H7F3O
Canonical SMILES:	C1=CC=C(C=C1)C(C(F)(F)F)O
InChI:	InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
InChI Key:	VNOMEAQPOMDWSR-UHFFFAOYSA-N
MDL:	MFCD00004498
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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Related Functional Groups

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1053656-74-8]
10-(2-Tetrahydropyranyloxy)-8-decynoic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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