alpha,3-Bis(trifluoromethyl)benzyl Alcohol - CAS 721-36-8

Catalog:	BB034547
Product Name:	alpha,3-Bis(trifluoromethyl)benzyl Alcohol
CAS:	721-36-8
Synonyms:	2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanol; 2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanol

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanol
Description:	alpha,3-Bis(trifluoromethyl)benzyl Alcohol (CAS# 721-36-8) is a useful research chemical.
Molecular Weight:	244.13
Molecular Formula:	C9H6F6O
Canonical SMILES:	C1=CC(=CC(=C1)C(F)(F)F)C(C(F)(F)F)O
InChI:	InChI=1S/C9H6F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4,7,16H
InChI Key:	BSMNENKVFMPEGA-UHFFFAOYSA-N
Boiling Point:	204.3 °C at 760 mmHg
Density:	1.432 g/cm³
LogP:	3.30110

Publication Number	Title	Priority Date
JP-2018002698-A	Method for producing alcohol containing trifluoromethyl group	20160628
JP-6763747-B2	Method for Producing Trifluoromethyl Group-Containing Alcohols	20160628
AU-2013361519-A1	Pesticidal compositions and processes related thereto	20121219
AU-2013361519-B2	Pesticidal compositions and processes related thereto	20121219
AU-2013361540-B2	Pesticidal compositions and processes related thereto	20121219

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Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.03228378
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.03228378
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1