Tricyclohexylphosphonium Tetrafluoroborate

HCID 11710396

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Grundinformationen

CAS: 58656-04-5
Standard-SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.F[B-](F)(F)F
InChIKey: MYSMMEUXKHJYKH-UHFFFAOYSA-O
Summenformel: C18H34BF4P
Durchschnittliche Molmasse: 368,2 g/mol
Monoisotopische Masse: 368,242731

Namen und Bezeichner

Bevorzugter Name: Tricyclohexylphosphonium Tetrafluoroborate
IUPAC: tricyclohexylphosphanium tetrafluoroborate
Englischer Name: Tricyclohexylphosphonium tetrafluoroborate
Summenformel: C18H34BF4P
Molmasse: 368.24

Namen und Synonyme

TRICYCLOHEXYLPHOSPHONIUM TETRAFLUOROBORATE58656-04-5DTXSID50470991RefChem:386031DTXCID10421808672-607-4Tricyclohexylphosphine tetrafluoroborateMFCD03840580C18H34BF4Ptricyclohexylphosphanium;tetrafluoroborateTRICYCLOHEXYLPHOSPHINE TETRAFLUROBORATEtricyclohexylphosphoniumtetrafluoroborate

Weitere Namen anzeigen

Tricyclohexylphosphine tetrafluroborate Pcy3 HBF4phosphonium tetrafLtricyclohexylphosphaniumTRICYCLOHEXYLPHOSPHONIUM TETRATricyclohexylphosphine tetrofluroborateTricyclohexylphosphanium tetrafluoroborate

Tricyclohexylphosphonium (tetrafluoroborate)tetrafluoroboranuide tricyclohexylphosphaniumtetrafluoroboranuide; tricyclohexylphosphaniumTri(cyclohexyl)phosphine tetrafluoroborate; PCy3.HBF4PCy3.HBF4SCHEMBL241581MYSMMEUXKHJYKH-UHFFFAOYSA-OAKOS008901221

Datenbank-Bezeichner

CAS: 58656-04-5
PubChem CID: 11710396
DTXSID: DTXSID50470991
EC Number: 672-607-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 24
Formalladung: 0
Komplexität: 221

Physikochemische Eigenschaften

Schmelzpunkt: 164 °C · 164 °C(lit.)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Dichloromethane (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: Soluble in water.
InChI: InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1
InChIKey: KZGFMSRKDNYVKL-UHFFFAOYSA-N
SMILES: [PH+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B-](F)(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (44.4%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: 1759
hs_code: 29209090
risk_code: 36/37/38
safety_code: 22-24/25
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenTricyclohexylphosphonium Tetrafluoroborate acts as a reagent in the synthesis of potent JAK2 inhibitor BMS-911543 as a potential treatment for myeloproliferative disorders, preparation of Lapatinib intermediate via arylation of furfural with bromochlorofluorobenzyloxyphenylquinazolinamine, structure-activity relationships of carboline and carbazole derivatives as ATP-competitive kinesin spindle protein inhibitors.