(6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate

HCID 16039314

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Grundinformationen

CAS: 893413-42-8
Standard-SMILES: Clc1ccc2nnn(O[P+](N3CCCC3)(N3CCCC3)N3CCCC3)c2c1.F[P-](F)(F)(F)(F)F
InChIKey: QJZCQEPNBRAYQL-UHFFFAOYSA-N
Summenformel: C18H27ClF6N6OP2
Durchschnittliche Molmasse: 554,8 g/mol
Monoisotopische Masse: 554,1314302

Namen und Bezeichner

Bevorzugter Name: (6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate
IUPAC: (6-chlorobenzotriazol-1-yl)oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate
Englischer Name: PyClocK
Summenformel: C18H27ClF6N6OP2
Molmasse: 554.8375212

Namen und Synonyme

893413-42-8(6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium HexafluorophosphateRefChem:405004695-542-3PYCLOCKMFCD14560589[(6-Chloro-1H-benzo[d][1,2,3]triazol-1-yl)oxy]tri(1-pyrrolidinyl)phosphonium Hexafluorophosphate(V)((6-Chloro-1H-benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(6-chlorobenzotriazol-1-yl)oxy-tripyrrolidin-1-ylphosphanium;hexafluorophosphate(6-Chlorobenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate((6-Chloro-1H-benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)PyClocK&reg

Weitere Namen anzeigen

PyCOPPYCOP PYCLOCK6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium...(6-Chlorobenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate 97%6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium HexafluorophosphatePyClocK 6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium Hexafluorophosphate6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium Hexafluorophosphate(PyClocK?)

PyClock?C18H27ClF6N6OP2SCHEMBL19614577KPC-1016-PIAC92846-Chlorobenzotriazole-1-yloxy-tris-pyrrolidinophosphonium hexafluorophosphateAKOS030530118FT35330

Datenbank-Bezeichner

CAS: 893413-42-8
PubChem CID: 16039314
EC Number: 695-542-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 5
Schwere Atome: 34
Formalladung: 0
Komplexität: 534

Physikochemische Eigenschaften

Schmelzpunkt: 174 · 174-180°C
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
InChI: InChI=1S/C18H27ClN6OP.F6P/c19-16-7-8-17-18(15-16)25(21-20-17)26-27(22-9-1-2-10-22,23-11-3-4-12-23)24-13-5-6-14-24;1-7(2,3,4,5)6/h7-8,15H,1-6,9-14H2;/q+1;-1
InChIKey: QJZCQEPNBRAYQL-UHFFFAOYSA-N
SMILES: C1C=C2N=NN(O[P+](N3CCCC3)(N3CCCC3)N3CCCC3)C2=CC=1Cl.[P-](F)(F)(F)(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 43 reports by companies.；There are 4 notifications provided by 41 of 43 reports by companies with hazard statement code(s).；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 (95.3%)；Eye Irrit. 2 (95.3%)；STOT SE 3 (93%)

Sicherheitsdaten

wgk: 3
hs_code: 2933 99 80
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(6-Chlorobenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate (or PyClock) is the 6-chloro analog of PyBOP. It can be used as an excellent coupling reagent in solution and solid-phase peptide synthesis. It is also used to suppress racemization in the synthesis of various peptide models.