4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

• Catalog Number: ACM128376647
• Product Name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• CAS: 128376-64-7
• Category: Main Products
• Synonyms: BM087, 4-Formylphenylboronic acid pinacol ester, 128376-64-7
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• Molecular Weight: 232.10
• Molecular Formula: C₁₃H₁₇BO₃
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=O
• InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N
• Boiling Point: 341.3ºC at 760 mmHg
• Melting Point: 55-58ºC
• Flash Point: 160.2ºC
• Density: 1.06g/cm³
• Appearance: Light yellow powder
• Exact Mass: 232.12700
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C13H17BO3.

What are the synonyms of the compound?

The synonyms are 128376-64-7, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, 4-Formylphenylboronic acid pinacol ester, 4-Formylphenylboronic acid, pinacol ester, and 4-formylphenylboronic acid pinacolate.

What is the molecular weight of the compound?

The molecular weight is 232.09 g/mol.

When was the compound created and modified?

The compound was created on July 19, 2005, and last modified on October 21, 2023.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI is InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-9H,1-4H3.

What is the InChIKey of the compound?

The InChIKey is DMBMXJJGPXADPO-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=O.

What is the CAS number of the compound?

The CAS number is 128376-64-7.

What is the topological polar surface area of the compound?

The topological polar surface area is 35.5Ų.