Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate

HCID 16211753CAS 133894-48-1

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Grundinformationen

Standard-SMILES: Cl[P+](N1CCCC1)(N1CCCC1)N1CCCC1.F[P-](F)(F)(F)(F)F
InChIKey: BSCYRXJVGSZNKX-UHFFFAOYSA-N
Summenformel: C12H24ClF6N3P2
Durchschnittliche Molmasse: 421,73 g/mol
Monoisotopische Masse: 421,10381803

Namen und Bezeichner

Bevorzugter Name: Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate
IUPAC: chloro(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
Englischer Name: Chlorotripyrrolidinophosphonium hexafluorophosphate
Summenformel: C12H24ClF6N3P2
Molmasse: 421.73

Namen und Synonyme

Chlorotripyrrolidinophosphonium hexafluorophosphateChlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphateRefChem:575968Phosphonium, (2-oxoethyl)triphenyl-, chloride628-539-2133894-48-1PyCloPMFCD00210035chloro(tripyrrolidin-1-yl)phosphanium;hexafluorophosphatechloro(tripyrrolidin-1-yl)phosphonium;hexafluorophosphateC12H24ClF6N3P2(T-4)chlorotri-1-pyrrolidinylphosphorus(1+) Hexafluorophosphate(1-); Pyrrolidine, Phosphorus Complex; PyCloP; Tris(1-pyrrolidino)chloroimidazolium Hexafluorophosphate

Weitere Namen anzeigen

PYCIOPREF DUPL: PyClOPChlorotripyrrolidinoChlorotripyrrolidinopChlorotripyrrolidinophosphoniumChlorotriphenylalkyl hexafluorophosphateChlorotripyrrolidinophosphoniumhexafluorophosphatChlorotriphyrrolidinyl hexafluorophosphate (PYCLOP)

SCHEMBL21541645DTXSID30583477BSCYRXJVGSZNKX-UHFFFAOYSA-Nchlorotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)AC2231AKOS015833809FP15668AS-17610

Datenbank-Bezeichner

CAS: 133894-48-1、62942-43-2
PubChem CID: 16211753
DTXSID: DTXSID30583477
EC Number: 628-539-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 9,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 3
Schwere Atome: 24
Formalladung: 0
Komplexität: 280

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-148°C
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Chloroform, Methanol
Aggregatzustand: Crystalline Powder
Farbe: White to yellow
BRN: 6842341 · 6842341
Major Application: peptide synthesis
InChI: InChI=1S/C12H24ClN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKey: BSCYRXJVGSZNKX-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)Cl
CAS Datenbank: 133894 · 133894-48-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChlorotripyrrolidinophosphonium hexafluorophosphate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 1759 8/PG 2
hs_code: 29339900
risk_code: 36/37/38-34
hazard_code: Xi,C
safety_code: 26-36-45-36/37/39
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischePreparation of chlorotripyrrolidinophosphonium hexafluorophosphate: addition of chlorine to a diethyl ether solution of tripyrrolidinophosphine, then addition of KPF6 in water. Addition of tripyrrolidinophosphine oxide to a DCM solution of phosphoryl trichloride, then addition of KPF6 in water.