2-Hydroxybenzeneboronic acid pinacol ester

• Catalog Number: ACM269409974
• Product Name: 2-Hydroxybenzeneboronic acid pinacol ester
• CAS: 269409-97-4
• Category: Other
• Synonyms: 522554_ALDRICH, 2-Hydroxyphenylboronic acid pinacol ester, ST5405622, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 269409-97-4
• IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• Molecular Weight: 220.07
• Molecular Formula: C₁₂H₁₇BO₃
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2O
• InChI Key: VLROJECCXBBKPZ-UHFFFAOYSA-N
• Boiling Point: 282ºC(lit.)
• Flash Point: 230 °F
• Density: 1.05 g/mL at 25ºC(lit.)
• Appearance: pale yellow to brown liquid
• Exact Mass: 220.12700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: 26-36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Hydroxybenzeneboronic acid pinacol ester?

The molecular formula is C12H17BO3.

What is the molecular weight of 2-Hydroxybenzeneboronic acid pinacol ester?

The molecular weight is 220.07 g/mol.

What is the IUPAC name of 2-Hydroxybenzeneboronic acid pinacol ester?

The IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

What is the InChI of 2-Hydroxybenzeneboronic acid pinacol ester?

The InChI is InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3.

What is the InChIKey of 2-Hydroxybenzeneboronic acid pinacol ester?

The InChIKey is VLROJECCXBBKPZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Hydroxybenzeneboronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2O.

What is the CAS number of 2-Hydroxybenzeneboronic acid pinacol ester?

The CAS number is 269409-97-4.

What is the EC number of 2-Hydroxybenzeneboronic acid pinacol ester?

The EC number is 671-854-5.

Is 2-Hydroxybenzeneboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.