((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate (HCID 11038641)

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(7-Azabenzotriazol-1PVP-VACOPOLYMERSERIES(7-AZABENZOTRIAZOLE-1-YLOXY)TRIPYRROLIDI(7-Azabenzotriazol-1-yloxy)tripyrrolidinophospho(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphoni3H-1,2,3-triazolo[4,5-b]pyridine phosphonium derivative

RefChem:390332(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate((3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphateMFCD03703417tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate(7-azabenzotriazol-1-yloxy)tripyrrolidino-phosphonium hexafluorophosphatehexafluoro-lambda5-phosphanuide; tris(pyrrolidin-1-yl)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})phosphanium

Datenbank-Bezeichner

CAS: 156311-83-0
PubChem CID: 11038641
DTXSID: DTXSID00935424
UNII: C5Z532MU8E
EC Number: 627-192-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 62,6 Å²
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

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 1 Eintrag

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.