N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate

HCID 10996402CAS 118612-00-3

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Grundinformationen

Standard-SMILES: C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIKey: BRHZQNMGSKUUMN-UHFFFAOYSA-O
Summenformel: C32H12BF20N
Durchschnittliche Molmasse: 801,2 g/mol
Monoisotopische Masse: 801,0743428

Namen und Bezeichner

Bevorzugter Name: N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate
IUPAC: dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
Englischer Name: Dimethylanilinium tetrakis(pentafluorophenyl)borate
Summenformel: C32H12BF20N
Molmasse: 801.22

Namen und Synonyme

118612-00-3N,N-dimethylanilinium tetrakis(pentafluorophenyl)boratedimethylanilinium tetrakis(pentafluorophenyl)boraten,n-dimethylanilinium tetra(pentafluorophenyl)borateUNII-H8R86L92NDN,N-Dimethylanilinium tetrakis(pentafluorophenyl)borate(1-)H8R86L92NDDimethyl(phenyl)ammonium tetrakis(2,3,4,5,6-pentafluorophenyl)borateBenzenamine, N,N-dimethyl-, tetrakis(pentafluorophenyl)borate(1-)EC 422-050-6RefChem:161282422-050-6

Weitere Namen anzeigen

Dimethylanilinum tetrakis(pentafluorophenyl)DIMETHYLANILINIUM TETRA(PETAFLUOROPHENYL)BORATEDimethylanilinumtetrakis(pentafluorophenyl)boratN,N-DIMETHYLANILINIUM TERTRAKIS (PENTAFLUOROPHENYLDIMETHYLANILINUM TETRAKIS(PENTAFLUOROPHENYL) BORATEDimethylanilinium tetrakis-(pentafluorophenyl)-boronN,N-DimethylanilineTetrakis(pentafluorophenyl)borateN,N-Dimethylaniliniumtetra(pentafluorophenyl)borate,98%

N,N-dimethylbenzenaminium tetrakis(perfluorophenyl)borateMFCD12913898dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuidedimethylanilinium tetrakis (pentafluorophenyl)borateN,N-Dimethylanilinium (tetrapentafluorophenyl)borateN, N-dimethylanilinium tetrakis(pentafluorophenyl)borateN,N-dimethylbenzenaminiumtetrakis(perfluorophenyl)boratedimethylani

Datenbank-Bezeichner

CAS: 118612-00-3
PubChem CID: 10996402
DTXSID: DTXSID101026412
UNII: H8R86L92ND
EC Number: 422-050-6、695-340-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 4,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 21
Frei drehbare Bindungen: 5
Schwere Atome: 54
Formalladung: 0
Komplexität: 880

Physikochemische Eigenschaften

Schmelzpunkt: 225 to · 225.0 to 229.0 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Powder, s On Exposure To Air
Farbe: Off-white, colors blue on exposure to air
Stabilität: hygroscopic
InChIKey: BRHZQNMGSKUUMN-UHFFFAOYSA-O
SMILES: [B-](C1C(F)=C(C(F)=C(F)C=1F)F)(C1C(F)=C(C(F)=C(F)C=1F)F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(=C(F)C(F)=C1F)F.C1(N(C)C)=CC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H315: Causes skin irritation [Warning Skin corrosion/irritation]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Danger

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12883

Hazard Classes and Categories · 4 Einträge

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Carc. 2 (100%)

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

Carcinogenicity - category 2；Acute toxicity - category 4；Skin irritation - category 2；Eye damage - category 1

Carc. 2；Acute Tox. 4 *；Skin Irrit. 2；Eye Dam. 1

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12883

Sicherheitsdaten

tsca: No
ridadr: UN1759
hs_code: 29319090
risk_code: 36/37/38-20/21/22-41-40-38-22
hazard_code: Xn
safety_code: 36/37/39-26-22
hazard_class: 8

Chemie und Industrie

Anwendungen

VerwendenN,N-Dimethylanilinium Tetrakis(pentafluorophenyl)borate 118612-00-3 (cas# 118612-00-3) is a catalyst used for α-olefin polymerization, ethylene-co-norbornene copolymerization, and in the addition of C-H bonds of pyridine derivatives.