Benzylboronic acid pinacol ester

• Catalog Number: ACM87100285
• Product Name: Benzylboronic acid pinacol ester
• CAS: 87100-28-5
• Category: Boronic Esters
• Synonyms: 2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE;Benzylboronic acid pinacol est;4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane;Benzylboronic acid pinacol ester 96%;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate
• IUPAC Name: 4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
• Molecular Weight: 218.1
• Molecular Formula: C₁₃H₁₉BO₂
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2
• InChI Key: YCNQPAVKQPLZRS-UHFFFAOYSA-N
• Boiling Point: 65ºC0.15 mm Hg
• Flash Point: >230 °F
• Density: 0.980 g/mL at 25ºC
• Exact Mass: 236.15800
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: S23-S24/25
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Benzylboronic acid pinacol ester?

The molecular formula is C13H19BO2.

What is the molecular weight of Benzylboronic acid pinacol ester?

The molecular weight is 218.10 g/mol.

What is the IUPAC name of Benzylboronic acid pinacol ester?

The IUPAC name is 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the InChI of Benzylboronic acid pinacol ester?

The InChI is InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.

What is the InChIKey of Benzylboronic acid pinacol ester?

The InChIKey is YCNQPAVKQPLZRS-UHFFFAOYSA-N.

What is the canonical SMILES of Benzylboronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2.

What is the CAS number of Benzylboronic acid pinacol ester?

The CAS number is 87100-28-5.

What is the EC number of Benzylboronic acid pinacol ester?

The EC number is 679-569-8.

What is the DSSTox Substance ID of Benzylboronic acid pinacol ester?

The DSSTox Substance ID is DTXSID801007338.

Is Benzylboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.