((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate
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Grundinformationen
- CAS
156311-83-0- Standard-SMILES
F[P-](F)(F)(F)(F)F.c1cnc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1- InChIKey
CBZAHNDHLWAZQC-UHFFFAOYSA-N- Summenformel
- C17H27F6N7OP2
- Durchschnittliche Molmasse
- 521,4 g/mol
- Monoisotopische Masse
- 521,16565148
Namen und Bezeichner
- Bevorzugter Name
- ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate
- IUPAC
- tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium hexafluorophosphate
- Englischer Name
- (3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate
- Summenformel
- C17H27F6N7OP2
- Molmasse
- 521.39
Namen und Synonyme
156311-83-0PyAOPPYAOP REAGENTC5Z532MU8E[(7-Azabenzotriazol-1-yl)oxy]tris(pyrrolidino)phosphonium hexafluorophosphatePhosphorus(1+), [3-(hydroxy-kappaO)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)Phosphorus(1+), (3-hydroxy-3H-1,2,3-triazolo(4,5-b)pyridinato-O)tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-)((7-Azabenzotriazol-1-yl)oxy)tris(pyrrolidino)phosphonium hexafluorophosphatePHOSPHONIUM, TRI-1-PYRROLIDINYL(3H-1,2,3-TRIAZOLO(4,5-B)PYRIDIN-3-YLOXY)-, HEXAFLUOROPHOSPHATE(1-)PHOSPHORUS(1+), (3-(HYDROXY-.KAPPA.O)-3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINATO)TRI-1-PYRROLIDINYL-, (T-4)-, HEXAFLUOROPHOSPHATE(1-) (1:1)PHOSPHORUS(1+), (3-(HYDROXY-KAPPAO)-3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINATO)TRI-1-PYRROLIDINYL-, (T-4)-, HEXAFLUOROPHOSPHATE(1-) (1:1)Phosphorus(1+), [3-(hydroxy-.kappa.O)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)
Weitere Namen anzeigen
(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate 96%PyAOP Novabiochem
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 62,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 502
Physikochemische Eigenschaften
- Schmelzpunkt
- 163 · 163-168 °C(lit.)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 1 % · Soluble in water or 1% acetic acid
- Aggregatzustand
- Powder or Crystalline Powder
- Farbe
- White to off-white
- Wasserlöslichkeit
- Soluble in water.
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C17H27N7OP.F6P/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17;1-7(2,3,4,5)6/h7-9H,1-6,10-15H2;/q+1;-1
- InChIKey
- CBZAHNDHLWAZQC-UHFFFAOYSA-N
- SMILES
- [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)ON1N=NC2C=CC=NC1=2
- CAS Datenbank
- 156311 · 156311-83-0(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Phosphorus(1+), [3-(hydroxy-.kappa.O)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1) (156311-83-0)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 6 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate is used as a coupling reagent in solid phase peptide synthesis. It is preferred over HATU, because it does not side react at the N-terminus of the peptide. Compared to the HOBt derivates, PyAOP (and HOAt in general) are more reactive due to the additional nitrogen.
Zugehörige Reaktionen
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