4-Fluoro-2-(trifluoromethyl)benzyl Alcohol - CAS 220227-29-2

Catalog:	BB017284
Product Name:	4-Fluoro-2-(trifluoromethyl)benzyl Alcohol
CAS:	220227-29-2
Synonyms:	[4-fluoro-2-(trifluoromethyl)phenyl]methanol; [4-fluoro-2-(trifluoromethyl)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[4-fluoro-2-(trifluoromethyl)phenyl]methanol
Description:	4-Fluoro-2-(trifluoromethyl)benzyl Alcohol (CAS# 220227-29-2) is a useful research chemical.
Molecular Weight:	194.13
Molecular Formula:	C8H6F4O
Canonical SMILES:	C1=CC(=C(C=C1F)C(F)(F)F)CO
InChI:	InChI=1S/C8H6F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
InChI Key:	QCDWCMMCVRWROH-UHFFFAOYSA-N
Boiling Point:	189.5 °C at 760 mmHg
Density:	1.377 g/cm³
MDL:	MFCD00061170
LogP:	2.33680

Publication Number	Title	Priority Date
EP-3572396-A1	(meth)acrylate compound, additive for optical resin, optical element, and optical device	20170117
JP-WO2018134871-A1	(Meth) acrylate compound, optical resin additive, optical element, and optical device	20170117
US-2019322857-A1	(meth)acrylate compound, additive for optical resin, optical element, and optical device	20170117
WO-2018134871-A1	(meth)acrylate compound, additive for optical resin, optical element, and optical device	20170117
JP-6809540-B2	(Meta) acrylate compounds, optical resin additives, optical elements, and optical devices	20170117

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.03547746
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.03547746
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2