Tri(dimethylamino)benzotriazol-1-yloxyphosphoniumhexafluorphosphat

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate

HCID 151348CAS 56602-33-6

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Grundinformationen

Standard-SMILES: CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F
InChIKey: MGEVGECQZUIPSV-UHFFFAOYSA-N
Summenformel: C12H22F6N6OP2
Durchschnittliche Molmasse: 442,28 g/mol
Monoisotopische Masse: 442,12345231

Namen und Bezeichner

Bevorzugter Name: Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate
IUPAC: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium hexafluorophosphate
Lokaler Name: Tri(dimethylamino)benzotriazol-1-yloxyphosphoniumhexafluorphosphat
Englischer Name: 1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate
Summenformel: C12H22F6N6OP2
Molmasse: 442.29

Namen und Synonyme

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphateRefChem:89895856602-33-6Bop reagent((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tris(dimethylamino)phosphonium hexafluorophosphate(V)Castro's ReagentTri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphatebenzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphateBOP hexafluorophosphatebenzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphateBOP (hexafluorophosphate)MFCD00011948

Weitere Namen anzeigen

BOP1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate [Coupling Reagent for Peptide]cas:56602-33-6BENZOTRIAZOLYL-N-OXYTRIS-(DIMETHYLAMINO-PHOSPHONIUM HEXAFLUOROPHOSPHATE)BOP-reaagentBOP Reagent(BOP)

(Benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphatebenzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphateBenzotriazole-1-yl-oxy-tris-(dimethylamino)-phosphonium hexafluorophosphate1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate(1H-Benzotriazol-1-yloxy)-tris(dimethylamino)phosphonium hexafluorophosphate(1-)BOP-ReagentCCRIS 2602Castros reagent

Datenbank-Bezeichner

CAS: 56602-33-6
PubChem CID: 151348
DTXSID: DTXSID60205170
UNII: LBD3UE345W
EC Number: 260-279-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 5
Schwere Atome: 27
Formalladung: 0
Komplexität: 368

Physikochemische Eigenschaften

Schmelzpunkt: 130 °C · >130 °C (dec.)(lit.)
Flammpunkt: 138 °C · 138°C
storage temp.: 2 · 2-8°C
Löslichkeit: 25 mg/mL, · methanol: 25 mg/mL, clear
Aggregatzustand: Powder
Farbe: White to off-white
Wasserlöslichkeit: Soluble in methanol, acetone and dichloromethane. Insoluble in water.
Decomposition: 138 · 138 ºC
BRN: 4287025 · 4287025
Major Application: peptide synthesis
InChI: InChI=1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
InChIKey: MGEVGECQZUIPSV-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N(C)C)(N(C)C)(N(C)C)ON1N=NC2C=CC=CC1=2
CAS Datenbank: 56602 · 56602-33-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (81.8%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (27.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 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

Hazard Classes and CategoriesFlam. Sol. 1 (81.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (27.3%)；STOT SE 3 (96.4%)

Sicherheitsdaten

F: 8-10-21
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29339980
risk_code: 37/38-44-36/37/38-11-2
hazard_code: Xi,E,F
hazard_note: Irritant
safety_code: 24/25-37/39-36-26-35-36/37/39
hazard_class: 4.1
packing_group: Ⅱ
Speicherklasse: 4.1A - Other explosive hazardous materials
Hazard Classifications: Flam. Sol. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate is a peptide coupling reagent. Can be used in the preparation of phenyl esters of amino acids which have been shown to be valuable as blocked derivatives of amino acids in the field of peptide synthesis.