Dipentafluorophenylcarbonate

HCID 2734833CAS 59483-84-0

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Grundinformationen

Standard-SMILES: O=C(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey: IOVVFSGCNWQFQT-UHFFFAOYSA-N
Summenformel: C13F10O3
Durchschnittliche Molmasse: 394,12 g/mol
Monoisotopische Masse: 393,96877606

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: Dipentafluorophenylcarbonate
IUPAC: bis(2,3,4,5,6-pentafluorophenyl) carbonate
Englischer Name: Bis(pentafluorophenyl)carbonate
Summenformel: C13F10O3
Molmasse: 394.12

Namen und Synonyme

59483-84-0DPFPCDipentafluorophenylcarbonateDTXSID40208184RefChem:134609DTXCID60130675Bis(pentafluorophenyl) carbonateBis(pentafluorophenyl)carbonateBis(perfluorophenyl) carbonatebis(perfluorophenyl)carbonatebis(2,3,4,5,6-pentafluorophenyl) carbonatePentafluorophenyl carbonate

Weitere Namen anzeigen

PFPO2CORARECHEM AR PA 0050Bis(perfluorophenyl)DI-PENTAFLUORPHENYLCARBONATEDI-PENTAFLUOROPHENYL CARBONATEBIS(PENTAFLUORPHENYL) CARBONATE

MFCD00368353SCHEMBL34317Bis(pentafluorophenyl) carbonate, 97%BP-31253B3604C13F10O3DipentafCarbonic Acid Bis(pentafluorophenyl) Ester

Datenbank-Bezeichner

CAS: 59483-84-0
PubChem CID: 2734833
DTXSID: DTXSID40208184
EC Number: 671-619-7
Nikkaji: J1.219.957K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 4
Schwere Atome: 26
Formalladung: 0
Komplexität: 439

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50 °C(lit.)
Siedepunkt: 250 °C · 250°C
Dichte: 1.782 · 1.782±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in chloroform, ethyl acetate and methylene chloride.
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 2029727 · 2029727
Major Application: peptide synthesis
InChI: InChI=1S/C13F10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23
InChIKey: IOVVFSGCNWQFQT-UHFFFAOYSA-N
SMILES: O(C1C(=C(F)C(F)=C(F)C=1F)F)C(=O)OC1C(=C(F)C(F)=C(F)C=1F)F
CAS Datenbank: 59483 · 59483-84-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29209090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenBis(pentafluorophenyl) carbonate is a reagent used as a carbonyl equivalent and for various coupling reactions, especially for azapeptides.