chlorotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 152528
• Molecular Formular: C12H24ClF6N3P2
• Molecular Mass: 421.7300012
• Monoisotopic Mass: 421.10381804
• SMILES: C1CCN(C1)[P+](N1CCCC1)(N1CCCC1)Cl.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.Cl[P+](N1CCCC1)(N1CCCC1)N1CCCC1
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: chlorotris(pyrrolidin-1-yl)phosphanium hexafluorophosphate
• Synonyms: PyCloP; Chlorotripyrrolidinophosphonium hexafluorophosphate; Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate; 氯代三吡咯烷基鏻六氟磷酸盐; 氯代三(1-吡咯烷基)磷六氟磷酸盐

Database IDs

• CAS Number: 133894-48-1
• MDL Number: MFCD00210035
• Beilstein Number: 6842341
• PubChem SID: 24856093; 162246673
• PubChem CID: 16211753

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14941244
• LogD (pH = 7.4): 0.14941244
• Log P: 0.14941244
• Molar Refractivity: 75.9547 cm^3
• Polarizability: 30.197123 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759; UN1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (AT); 98+%
• Linear Formula: C12H24ClN3P · PF6

DETAILS

Sigma Aldrich - 26564

Other Notes
Crystalline reagent for peptide coupling of N-alkylated N-Fmoc and N-Z amino acids in high yield and without racemization.
Packaging
5, 25 g in glass bottle
Application
Reagent for: Peptide coupling reactions1,2 and synthesis of coupling reagents3 Sequence selective peptide recognition4 Synthesis of condensing reagents5 Synthesis of heterocyclic β-sheet ligands6