Triphenylboroxin

C₁₈H₁₅B₃O₃CAS 3262-89-3311.75 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₅B₃O₃
Molar mass: 311.75 g/mol
Exact mass: 312.1300 Da
logP: 1.24Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

3262-89-3

SMILES

B1(OB(OB(O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChIKey

VOXXGUAZBWSUSS-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

2,4,6-Triphenyl-1,3,5,2,4,6-trioxatriborinane
2,4,6-Triphenylboroxin
Boroxin, triphenyl-
Triphenylboroxine
Triphenylboroxole
Benzeneboronic anhydride
Cyclic phenylboronic anhydride
Phenylboronic anhydride
Phenylboronic acid anhydride
Cyclic benzeneboronic anhydride
2,6-Triphenylboroxin
Triphenyl-1,3,5,2,4,6-trioxatriborinane
Phenyl boronic acid anhydride
Phenyl boronic acid trimeric anhydride

Reactions

Benzeneboronic anhydride (Boroxin, triphenyl-)product

Work with Triphenylboroxin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylboronic acid pinacol ester24388-23-650 % similar Triphenylborane960-71-450 % similar (5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene5123-13-744 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-443 % similar Phenylboron dichloride873-51-843 % similar Phenylboronic acid98-80-643 % similar Biphenyl92-52-441 % similar para-Quaterphenyl135-70-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook