alpha-(Trifluoromethyl)naphthalene-2-methanol - CAS 1645-50-7

Catalog:	BB012119
Product Name:	alpha-(Trifluoromethyl)naphthalene-2-methanol
CAS:	1645-50-7
Synonyms:	2,2,2-trifluoro-1-(2-naphthalenyl)ethanol; 2,2,2-trifluoro-1-naphthalen-2-ylethanol

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-naphthalen-2-ylethanol
Description:	alpha-(Trifluoromethyl)naphthalene-2-methanol (CAS# 1645-50-7) is a useful research chemical.
Molecular Weight:	226.19
Molecular Formula:	C12H9F3O
Canonical SMILES:	C1=CC=C2C=C(C=CC2=C1)C(C(F)(F)F)O
InChI:	InChI=1S/C12H9F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,16H
InChI Key:	MLTCXWGPOGVAPM-UHFFFAOYSA-N
LogP:	3.43550

Publication Number	Title	Priority Date
JP-2014091691-A	Process for producing trifluoromethyl group-containing compound	20121102
JP-5991899-B2	Process for producing trifluoromethyl group-containing compound	20121102
US-2014039182-A1	Compositions and processes of preparing and using the same	20110322
US-9359277-B2	Compositions and processes of preparing and using the same	20110322
JP-2012184185-A	Novel perfluoroalkylating agent and method for producing perfluoroalkyl group-containing compound using the same	20110304

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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:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.06054939
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.06054939
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7