Triphenylboroxin

HCID 72595CAS 3262-89-3

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Grundinformationen

Standard-SMILES: c1ccc(B2OB(c3ccccc3)OB(c3ccccc3)O2)cc1
InChIKey: VOXXGUAZBWSUSS-UHFFFAOYSA-N
Summenformel: C18H15B3O3
Durchschnittliche Molmasse: 311,7 g/mol
Monoisotopische Masse: 312,1300348

Namen und Bezeichner

Bevorzugter Name: Triphenylboroxin
IUPAC: 2,4,6-triphenyl-1,3,5,2,4,6-trioxatriborinane
Englischer Name: 2,4,6-Triphenylboroxin
Summenformel: C18H15B3O3
Molmasse: 311.74

Namen und Synonyme

Triphenylboroxin3262-89-32,4,6-TriphenylboroxinBoroxin, triphenyl-TriphenylboroxineTriphenylboroxoleBenzeneboronic anhydrideCyclic phenylboronic anhydridePhenylboronic anhydridePhenylboronic acid anhydrideCyclic benzeneboronic anhydrideAI3-60389

Weitere Namen anzeigen

2,4,6-TriphenylBoroxinetriphenyl-boroxiBenzene boronic anhydrideBoroxin, 2,4,6-triphenyl-Phenyl boronic acid anhydride

DTXSID80186311RefChem:191903DTXCID90108802InChI=1/C18H15B3O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15VOXXGUAZBWSUSS-UHFFFAOYSA-N2,4,6-triphenyl-1,3,5,2,4,6-trioxatriborinaneMFCD00014587NSC 51723

Datenbank-Bezeichner

CAS: 3262-89-3
PubChem CID: 72595
DTXSID: DTXSID80186311
EC Number: 621-783-0
Nikkaji: J128.093G

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 24
Formalladung: 0
Komplexität: 311

Physikochemische Eigenschaften

Schmelzpunkt: 217 to · 217.0 to 221.0 °C
Siedepunkt: 368.3 · 368.3±25.0 °C(Predicted)
Dichte: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C18H15B3O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
InChIKey: VOXXGUAZBWSUSS-UHFFFAOYSA-N
SMILES: O1B(C2=CC=CC=C2)OB(C2=CC=CC=C2)OB1C1=CC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.