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 topological polar surface area of the compound?

The topological polar surface area is 35.5Å².

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

Name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
SKU: ACM128376647
Rating: 5 (1 reviews)

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Catalog NumberACM128376647

CAS Number128376-64-7

CategoryLiquid Crystal (LC) Building Blocks

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

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

Purity

98%

Density

1.06g/cm³

Appearance

Light yellow powder

Exact Mass

232.12700

Hazard Statements

Safety Description

26-36/37/39

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