3-Carboethoxyphenylboronic acid pinacol ester

• CAS: 269410-00-6
• Catalog Number: ACM269410006
• Category: Other
• Molecular Weight: 276.14
• Molecular Formula: C₁₅H₂₁BO₄
• Synonyms: ETHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ETHYL BENZOATE;3-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER;Ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,min.97%;3-carboetho
• IUPAC Name: ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OCC
• InChI Key: RQKGHIGGSFNVGW-UHFFFAOYSA-N
• Boiling Point: 378.6ºC at 760mmHg
• Melting Point: 40-44ºC(lit.)
• Flash Point: 182.8ºC
• Density: 1.07g/cm³
• Exact Mass: 276.15300
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: 26-36

Custom Q&A

What is the molecular formula of 3-Carboethoxyphenylboronic acid pinacol ester?

The molecular formula is C15H21BO4.

What is the molecular weight of 3-Carboethoxyphenylboronic acid pinacol ester?

The molecular weight is 276.14 g/mol.

What is the IUPAC name of 3-Carboethoxyphenylboronic acid pinacol ester?

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

What is the InChI of 3-Carboethoxyphenylboronic acid pinacol ester?

The InChI is InChI=1S/C15H21BO4/c1-6-18-13(17)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3.

What is the InChIKey of 3-Carboethoxyphenylboronic acid pinacol ester?

The InChIKey is RQKGHIGGSFNVGW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Carboethoxyphenylboronic acid pinacol ester?

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

What is the CAS number of 3-Carboethoxyphenylboronic acid pinacol ester?

The CAS number is 269410-00-6.

What is the European Community (EC) number of 3-Carboethoxyphenylboronic acid pinacol ester?

The European Community (EC) number is 623-082-5.

What is the DSSTox Substance ID of 3-Carboethoxyphenylboronic acid pinacol ester?

The DSSTox Substance ID is DTXSID70378804.

Is 3-Carboethoxyphenylboronic acid pinacol ester canonicalized?

Yes, it is canonicalized according to PubChem.