Potassium Phenethyltrifluoroborate - CAS 329976-74-1

Catalog:	BB021514
Product Name:	Potassium Phenethyltrifluoroborate
CAS:	329976-74-1
Synonyms:	potassium;trifluoro(2-phenylethyl)boranuide; potassium;trifluoro(2-phenylethyl)boranuide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	potassium;trifluoro(2-phenylethyl)boranuide
Description:	Potassium Phenethyltrifluoroborate (CAS# 329976-74-1) is a useful research chemical.
Molecular Weight:	212.06
Molecular Formula:	C8H9F3BK
Canonical SMILES:	[B-](CCC1=CC=CC=C1)(F)(F)F.[K+]
InChI:	InChI=1S/C8H9BF3.K/c10-9(11,12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
InChI Key:	SOZVPVAYKGJPJS-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD09039257
LogP:	3.07650

Publication Number	Title	Priority Date
US-2020200765-A1	Broad spectrum gpcr binding agents	20181204
WO-2020117954-A2	Broad spectrum gpcr binding agents	20181204
EP-3891503-A2	Broad spectrum gpcr binding agents	20181204
WO-2019084476-A1	ANTAGONISTS OF FIBROBLAST GROWTH FACTOR 23 AND RELATED COMPOSITIONS AND METHODS	20171026
EP-3558321-A1	Derivatives of quinolines as inhibitors of dyrk1a and/or dyrk1b kinases	20161223

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Related Functional Groups

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2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
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2-Ethoxycarbonylphenylboronic Acid
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(6-Chlorobenzo[b]thiophen-2-yl)boronic acid

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-P305 + P351 + P338
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0386464
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.0386464
Rotatable Bond Count:	2
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0