4-Benzyloxyphenylboronic acid, pinacol ester

• CAS: 754226-40-9
• Catalog Number: ACM754226409
• Category: Boronic Esters
• Molecular Weight: 310.2
• Molecular Formula: C₁₉H₂₃BO₃
• Synonyms: 594148_ALDRICH, BM117, 4-Benzyloxyphenylboronic acid pinacol ester, 4-(Benzyloxy)phenylboronic acid pinacol ester, 2-(4-Benzyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 754226-40-9
• IUPAC Name: 4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3
• InChI Key: KMKOKPUXZWBMEI-UHFFFAOYSA-N
• Boiling Point: 428.5ºC at 760 mmHg
• Melting Point: 81-85ºC(lit.)
• Flash Point: 213ºC
• Density: 1.08g/cm³
• Exact Mass: 328.18500
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 4-Benzyloxyphenylboronic acid, pinacol ester?

The molecular formula is C19H23BO3.

What is the molecular weight of 4-Benzyloxyphenylboronic acid, pinacol ester?

The molecular weight is 310.2 g/mol.

What is the IUPAC name of 4-Benzyloxyphenylboronic acid, pinacol ester?

The IUPAC name is 4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane.

What is the InChI of 4-Benzyloxyphenylboronic acid, pinacol ester?

The InChI is InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3.

What is the InChIKey of 4-Benzyloxyphenylboronic acid, pinacol ester?

The InChIKey is KMKOKPUXZWBMEI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Benzyloxyphenylboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3.

What is the CAS number of 4-Benzyloxyphenylboronic acid, pinacol ester?

The CAS number is 754226-40-9.

What is the EC (European Community) number of 4-Benzyloxyphenylboronic acid, pinacol ester?

The EC number is 805-456-1.

What is the DSSTox Substance ID of 4-Benzyloxyphenylboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID50407868.

Is 4-Benzyloxyphenylboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.