2-Fluoro-6-(trifluoromethyl)benzyl Alcohol - CAS 152211-15-9

Catalog:	BB010760
Product Name:	2-Fluoro-6-(trifluoromethyl)benzyl Alcohol
CAS:	152211-15-9
Synonyms:	[2-fluoro-6-(trifluoromethyl)phenyl]methanol; [2-fluoro-6-(trifluoromethyl)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[2-fluoro-6-(trifluoromethyl)phenyl]methanol
Description:	2-Fluoro-6-(trifluoromethyl)benzyl Alcohol (CAS# 152211-15-9) is a useful research chemical.
Molecular Weight:	194.13
Molecular Formula:	C8H6F4O
Canonical SMILES:	C1=CC(=C(C(=C1)F)CO)C(F)(F)F
InChI:	InChI=1S/C8H6F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2
InChI Key:	TZUCYZIRXZYZOP-UHFFFAOYSA-N
Boiling Point:	180 °C
Density:	1.377 g/cm³
Appearance:	Liquid
MDL:	MFCD00061168
LogP:	2.33680

Publication Number	Title	Priority Date
CN-112159358-A	Preparation method of oxalagogri intermediate	20201026
WO-2020231713-A1	AGONISTS OF ROR GAMMAt	20190513
WO-2020231766-A1	AGONISTS OF ROR GAMMAt	20190513
CN-111909040-A	Preparation method of Elagolix intermediate 2-fluoro-6-trifluoromethylbenzylamine	20190510
CN-109810064-A	A kind of method of two-step method synthesis Elagolix intermediate polysubstituted pyrimidine derivative	20190216

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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:	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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2