Triphenylboroxin

HCID 72595

Notes Reactions

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Basic information

CAS: 3262-89-3
Standard SMILES: c1ccc(B2OB(c3ccccc3)OB(c3ccccc3)O2)cc1
InChIKey: VOXXGUAZBWSUSS-UHFFFAOYSA-N
Molecular formula: C18H15B3O3
Average molar mass: 311.7 g/mol
Monoisotopic mass: 312.1300348

Names & identifiers

Preferred name: Triphenylboroxin
IUPAC: 2,4,6-triphenyl-1,3,5,2,4,6-trioxatriborinane
English name: 2,4,6-Triphenylboroxin
Molecular formula: C18H15B3O3
Molecular weight: 311.74

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 311

Physicochemical properties

Melting point: 217 to · 217.0 to 221.0 °C
Boiling point: 368.3 · 368.3±25.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: 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
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 3 items

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.