3-Carboxyphenylboronic acid

• Catalog Number: ACM25487665
• Product Name: 3-Carboxyphenylboronic acid
• CAS: 25487-66-5
• Category: Boronic Acids
• Synonyms: 3-(Dihydroxyboranyl)benzoic acid
• IUPAC Name: 3-boronobenzoic acid
• Molecular Weight: 165.94
• Molecular Formula: C7H7BO4
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)O)(O)O
• InChI: InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
• InChI Key: DBVFWZMQJQMJCB-UHFFFAOYSA-N
• Boiling Point: 434.5±47.0 °C
• Melting Point: 243-247 °C (lit.)
• Flash Point: 216.585ºC
• Density: 1.40±0.1 g/ml
• Appearance: off-white crystalline powder
• Exact Mass: 166.04400
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Safety Description: S26-S37/39
• WGK Germany: 2

Custom Q&A

What is the molecular formula of 3-Carboxyphenylboronic acid?

The molecular formula of 3-Carboxyphenylboronic acid is C7H7BO4.

What is the molecular weight of 3-Carboxyphenylboronic acid?

The molecular weight of 3-Carboxyphenylboronic acid is 165.94 g/mol.

When was 3-Carboxyphenylboronic acid created?

3-Carboxyphenylboronic acid was created on July 19, 2005.

When was 3-Carboxyphenylboronic acid last modified?

3-Carboxyphenylboronic acid was last modified on December 2, 2023.

What is the IUPAC name of 3-Carboxyphenylboronic acid?

The IUPAC name of 3-Carboxyphenylboronic acid is 3-boronobenzoic acid.

What is the InChI of 3-Carboxyphenylboronic acid?

The InChI of 3-Carboxyphenylboronic acid is "InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)".

What is the InChIKey of 3-Carboxyphenylboronic acid?

The InChIKey of 3-Carboxyphenylboronic acid is "DBVFWZMQJQMJCB-UHFFFAOYSA-N".

What is the canonical SMILES of 3-Carboxyphenylboronic acid?

The canonical SMILES of 3-Carboxyphenylboronic acid is "B(C1=CC(=CC=C1)C(=O)O)(O)O".

What is the CAS number of 3-Carboxyphenylboronic acid?

The CAS number of 3-Carboxyphenylboronic acid is 25487-66-5.

What is the ChEMBL ID of 3-Carboxyphenylboronic acid?

The ChEMBL ID of 3-Carboxyphenylboronic acid is CHEMBL421765.