Tris(pentafluorophenyl)borane

HCID 582056CAS 1109-15-5

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Grundinformationen

Standard-SMILES: Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N
Summenformel: C18BF15
Durchschnittliche Molmasse: 512 g/mol
Monoisotopische Masse: 511,9853526

Namen und Bezeichner

Bevorzugter Name: Tris(pentafluorophenyl)borane
IUPAC: tris(2,3,4,5,6-pentafluorophenyl)borane
Englischer Name: TRIS(PENTAFLUOROPHENYL)BORANE
Summenformel: C18BF15
Molmasse: 511.98

Namen und Synonyme

Tris(pentafluorophenyl)borane1109-15-5I3WU5E2578DTXSID6074594BF-15RefChem:192143DTXCID4033182601-014-5Tris(perfluorophenyl)boraneTris(2,3,4,5,6-pentafluorophenyl)boraneTRIS(PENTAFLUOROPHENYL)BORONMFCD00269813

Weitere Namen anzeigen

Tris(Pentafluorophenyl)BorateTris(pentafluorophenyl)boron,min.97%Tris(pentafLperfluorotriphenylboronePERFLUOROTRIPHENYLBORANE

C18BF15TRIS (PENTAFLUORO) PHENYL BORANE135072-62-7Borane, tris(2,3,4,5,6-pentafluorophenyl)-B(C6F5)3PerfluorotriphenylboronBorane, tris(pentafluorophenyl)-tri(pentafluorophenyl)borane

Datenbank-Bezeichner

CAS: 1109-15-5、135072-62-7
PubChem CID: 582056
DTXSID: DTXSID6074594
UNII: I3WU5E2578
EC Number: 195-368-3、414-000-7、601-014-5
Nikkaji: J640.919I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 15
Frei drehbare Bindungen: 3
Schwere Atome: 34
Formalladung: 0
Komplexität: 566

Physikochemische Eigenschaften

Schmelzpunkt: 126 · 126-131 °C (lit.)
Siedepunkt: 327.3 · 327.3±42.0 °C(Predicted)
Dichte: 0.73 g/mL · 0.73 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.41
Flammpunkt: 7 °C · 7 °C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Soluble in hexane, chloroform, dichloromethane, toluene, and polar solvents.
Aggregatzustand: Powder
Wichte: 1.7 · 1.7
Farbe: White to light yellow-beige
Merck: 14 · 14,9755
BRN: 2931347 · 2931347
InChI: 1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c3c(F)c(F)c(F)c(F)c3F)c(F)c1F
CAS Datenbank: 1109 · 1109-15-5(CAS DataBase Reference)
EPA chemische Informationen: Borane, tris(2,3,4,5,6-pentafluorophenyl)- (1109-15-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral]；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]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 3 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

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/9908

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (96.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/9908

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1268 3/PG 2
hs_code: 29039990
risk_code: 36/37/38-25-67-65-50/53-38-11
hazard_code: Xi,T,N,Xn,F
safety_code: 60-61-62-45-37/39-26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBorane, tris(2,3,4,5,6-pentafluorophenyl)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTris(pentafluorophenyl)borane is used as an excellent activator component in homogeneous Ziegler-Natta chemistry. It is also used as a catalyst for reductions, alkylations, hydrometallation reactions and catalyzed aldol-type reactions. It is a useful Lewis acid and catalyzes hydrosilylation of aldehydes. Further, it is used in olefin polymerization catalysis. It serves as a reagent in the preparation of organometallic complexes. In addition to this, it is useful as polymerization catalysts and used to study the heterolytic cleavage of dihydrogen in associated with tri-tert-butylphosphine.