Potassium Trifluoro(iodomethyl)borate - CAS 888711-47-5

Catalog:	BB039275
Product Name:	Potassium Trifluoro(iodomethyl)borate
CAS:	888711-47-5
Synonyms:	potassium;trifluoro(iodomethyl)boranuide; potassium;trifluoro(iodomethyl)boranuide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	potassium;trifluoro(iodomethyl)boranuide
Description:	Organotrifluoroborate involved in synthesis of functionalized ethyltrifluoroboratesOrganotrifluoroboronates as versatile and stable boronic acid surrogates.
Molecular Weight:	247.84
Molecular Formula:	CH2F3IBK
Canonical SMILES:	[B-](CI)(F)(F)F.[K+]
InChI:	InChI=1S/CH2BF3I.K/c3-2(4,5)1-6;/h1H2;/q-1;+1
InChI Key:	WQJVWRYIXQXISQ-UHFFFAOYSA-N
Melting Point:	245-258 °C (dec.)
Flash Point:	Not applicable
LogP:	2.22630

Publication Number	Title	Priority Date
US-9518067-B2	Trifluoroborate mass spectrometric tags	20130327
AU-2013340896-A1	Pressure process	20121031
AU-2013340896-A2	Pressure process	20121031
AU-2013340896-B2	Pressure process	20121031
EP-2914563-A1	Pressure process	20121031

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[2005430-90-8]
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester
[1967833-52-8]
4-(4-Piperidyl)phenylboronic Acid

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:	44.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.88834
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.88834
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0