PyBOP (HCID 2724699)

Namen und Bezeichner

Bevorzugter Name: PyBOP
IUPAC: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
Englischer Name: PyBOP
Summenformel: C18H28F6N6OP2
Molmasse: 520.39

Namen und Synonyme

PyBOP128625-52-5DTXSID40369209RefChem:177361DTXCID50320245(Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)MFCD00077411Benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphatebopp1H-Benzotriazol-1-yloxytripyrrolidinophosphonium HexafluorophosphateBenzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate

Weitere Namen anzeigen

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphateBOP REAGENTBYPOPBENZOTRIAZOLE-1-YL-OXY-TRIS-PYRROLIDINO-PHOSPHONIUM HEXAFLUOROPHOSPHATEBENZOTRIAZOL-1-YLOXYTRIS(PYRROLIDINO)PHOSPHONIUM HEXAFLUOROPHOSPHATE

benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate1-Benzotriazolyloxytripyrrolidinylphosphonium hexafluorophosphateBenzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate(Benzotriazol-1-yloxy)tripyrrolidinophosphonium (hexafluorophosphate)benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate132701-58-7Benzotriazole-1-yl-Y6KQR4GY6T

Datenbank-Bezeichner

CAS: 128625-52-5
PubChem CID: 2724699
DTXSID: DTXSID40369209
UNII: Y6KQR4GY6T
EC Number: 603-290-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 5
Schwere Atome: 33
Formalladung: 0
Komplexität: 500

Physikochemische Eigenschaften

Schmelzpunkt: 154 · 154-156 °C (dec.)(lit.)
Dichte: 1.438 at · 1.438 at 20℃
Dampfdruck: 0 · 0-0Pa at 20-50℃
storage temp.: 2 · 2-8°C
Löslichkeit: 25 mg/mL, · methanol: 25 mg/mL, clear
Aggregatzustand: Fine Crystalline Powder
Farbe: White to off-white
BRN: 3584612 · 3584612
Major Application: peptide synthesis
InChI: InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
InChIKey: BYCLGHOAELJLOF-UHFFFAOYSA-M
SMILES: [P+](ON1N=NC2C=CC=CC1=2)(N1CCCC1)(N1CCCC1)N1CCCC1.[P-](F)(F)(F)(F)(F)F
LogP: -0.3 at · -0.3 at 26℃ and pH3.5-3.7
CAS Datenbank: 128625 · 128625-52-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (87.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (12.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H410 (12.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 13 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

Regulatory InformationStatus: Active Update: 24-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30080；Status: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27481

Hazard Classes and CategoriesAcute Tox. 4 (14.9%)；Skin Irrit. 2 (87.8%)；Skin Sens. 1 (12.2%)；Eye Irrit. 2 (87.8%)；STOT SE 3 (86.5%)；Aquatic Chronic 1 (12.2%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 24-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30080；Status: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27481

Sicherheitsdaten

F: 8-10-21
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29339980
risk_code: 37/38-44-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-24/25-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1

Chemie und Industrie

Anwendungen

VerwendenOne of the most convenient coupling reagents for peptide synthesis without carcinogenic by-products. It replaces BOP reagent. This is especially suitable for solid-phase peptide synthesis, avoids racemization.