Bis(pyridine)iodonium tetrafluoroborate

HCID 10883201CAS 15656-28-7

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Grundinformationen

Standard-SMILES: F[B-](F)(F)F.[IH2+].c1ccncc1.c1ccncc1
InChIKey: WVXJCTSZJWIBQT-UHFFFAOYSA-N
Summenformel: C10H12BF4IN2
Durchschnittliche Molmasse: 373,93 g/mol
Monoisotopische Masse: 374,00744

Namen und Bezeichner

Bevorzugter Name: Bis(pyridine)iodonium tetrafluoroborate
IUPAC: iodanium;bis(pyridine);tetrafluoroborate
Englischer Name: Bis(pyridine)iodonium tetrafluoroborate
Summenformel: C10H10BF4IN2
Molmasse: 371.91

Namen und Synonyme

Bis(pyridine)iodonium tetrafluoroborate15656-28-7DTXSID50447027Barluenga reagentBis(pyridine)iodinium tetrafluoroborateBis(pyridine)iodine(I) tetrafluoroborateRefChem:569268Bis(pyridine)iodonium tetrafluoroborate [MI]DTXCID2039784896046808SX628-405-3Iodine(1+), bis(pyridine)-, tetrafluoroborate(1-) (1:1)

Weitere Namen anzeigen

BarluengasBARLUENGA'S REAGENTSKL215iodaniumBarluengaReagentIpy2Bf4Barluenga’S Reagent Ipy2Bf4iodonium pyridine tetrafluoroborateIodanium pyridine tetrafluoroborate

MFCD03703393iodanium;pyridine;tetrafluoroborateBis(pyridine)iodonium tetrafluoroborate [Barluenga's Reagent]IPy2BF4SCHEMBL756401C10H10BF4IN2C10H12BF4IN2SCHEMBL4590747

Datenbank-Bezeichner

CAS: 15656-28-7
PubChem CID: 10883201
DTXSID: DTXSID50447027
EC Number: 628-405-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 0
Schwere Atome: 18
Formalladung: 0
Komplexität: 50

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-141 °C (lit.)
storage temp.: 2 · 2-8°C
Löslichkeit: 2 Cl2, · sol CH2Cl2, DMSO, MeCN, pyridine, DMF; modestly sol CHCl3; insol ether, THF, hexane
Aggregatzustand: Powder
Farbe: Yellow
Wasserlöslichkeit: Hydrolyzes in water.
Merck: 14 · 14,1302
BRN: 4284739 · 4284739
InChI: 1S/2C5H5N.BF4.I/c2*1-2-4-6-5-3-1;2-1(3,4)5;/h2*1-5H;;/q;;-1;+1
InChIKey: JBVUIHBKNVHCKK-UHFFFAOYSA-N
SMILES: [I+].F[B-](F)(F)F.c1ccncc1.c2ccncc2
CAS Datenbank: 15656 · 15656-28-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: 1759
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi,T
hazard_note: Toxic/Irritant
safety_code: 26-36-37/39
hazard_class: MOISTURE SENSITIVE, KEEP COLD, LIGHT SENSITIVE
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

BeschreibungBis(pyridine)iodonium tetrafluoroborate is iodinating agent for the selective functionalization of unsaturated compounds; can also mediate C-C bond formation.

VerwendenBis(pyridine)iodonium tetrafluoroborate is used as mild iodinating and oxidizing reagent. It is also useful for selective iodination of free phenolic groups in tyrosine residues during solid-phase synthesis.