2-Methoxy-4-(trifluoromethyl)phenylboronic Acid - CAS 312936-89-3

Catalog:	BB020863
Product Name:	2-Methoxy-4-(trifluoromethyl)phenylboronic Acid
CAS:	312936-89-3
Synonyms:	[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid; [2-methoxy-4-(trifluoromethyl)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid
Description:	2-Methoxy-4-(trifluoromethyl)phenylboronic Acid (CAS# 312936-89-3) is a useful research chemical.
Molecular Weight:	219.95
Molecular Formula:	C8H8F3O3B
Canonical SMILES:	B(C1=C(C=C(C=C1)C(F)(F)F)OC)(O)O
InChI:	InChI=1S/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
InChI Key:	UCNRYDKUBYQIOW-UHFFFAOYSA-N
Boiling Point:	309.9 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	0.39380

Publication Number	Title	Priority Date
US-2016185752-A1	Piperidine and azepine derivatives as prokineticin receptor modulators	20130808
WO-2015019103-A1	Piperidine and azepine derivatives as prokineticin receptor modulators	20130808
US-2016137636-A1	Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors	20130612
WO-2014201173-A1	Bicyclic sulfonamide compounds as sodium channel inhibitors	20130612
US-2016108047-A1	Imidazopyrrolidine derivatives and their use in the treatment of disease	20130527

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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:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.0518588
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	220.0518588
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0