3-Fluoro-5-(trifluoromethyl)benzyl Alcohol - CAS 184970-29-4

Catalog:	BB014173
Product Name:	3-Fluoro-5-(trifluoromethyl)benzyl Alcohol
CAS:	184970-29-4
Synonyms:	[3-fluoro-5-(trifluoromethyl)phenyl]methanol; [3-fluoro-5-(trifluoromethyl)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[3-fluoro-5-(trifluoromethyl)phenyl]methanol
Description:	3-Fluoro-5-(trifluoromethyl)benzyl Alcohol (CAS# 184970-29-4) is a useful research chemical.
Molecular Weight:	194.13
Molecular Formula:	C8H6F4O
Canonical SMILES:	C1=C(C=C(C=C1C(F)(F)F)F)CO
InChI:	InChI=1S/C8H6F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3,13H,4H2
InChI Key:	LTWAIZVPDMHGOE-UHFFFAOYSA-N
Boiling Point:	81 °C / 3 mmHg, 183.9 °C at 760 mmHg
Density:	1.377 g/cm³
MDL:	MFCD00061169
LogP:	2.33680

Publication Number	Title	Priority Date
WO-2020035424-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
WO-2020035425-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
AU-2019322161-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
CA-3098272-A1	New heterocyclic compounds as monoacylglycerol lipase inhibitors	20180813
TW-202021970-A	New heterocyclic compounds	20180813

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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 (80%): 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