3-Carboxyphenylboronic acid

• CAS: 25487-66-5
• Catalog Number: ACM25487665
• Category: Boronic Acids
• Molecular Weight: 165.94
• Molecular Formula: C7H7BO4
• Synonyms: 3-(Dihydroxyboranyl)benzoic acid
• IUPAC Name: 3-boronobenzoic acid
• 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.

Synthetic Use

Downstream Synthesis Route 1

• 64-17-5
• 25487-66-5

• 4334-87-6

Reference: [1]Current Patent Assignee: CHINA SYNCHEM TECH CO LTD - CN114262340, 2022, A Location in patent: Paragraph 0037-0039

Downstream Synthesis Route 2

• 25487-66-5

• 101084-81-5

Reference: [1]Patent: CN103497211,2016,B .Location in patent: Paragraph 0190

Downstream Synthesis Route 3

• 626-55-1
• 25487-66-5

• 4385-77-7

Reference: [1]Journal of the American Chemical Society,2013,vol. 135,p. 1853 - 1863

Downstream Synthesis Route 4

• 109-04-6
• 25487-66-5

• 4467-07-6

Reference: [1] Patent: US2009/197863, 2009, A1, . Location in patent: Page/Page column 75

Downstream Synthesis Route 5

• 1120-87-2
• 25487-66-5

• 4385-78-8

Reference: [1] Patent: US2009/197863, 2009, A1, . Location in patent: Page/Page column 76

Downstream Synthesis Route 6

• 25487-66-5
• 19524-06-2

• 4385-78-8

Reference: [1] Inorganic Chemistry, 2016, vol. 55, # 3, p. 1089 - 1095

* For details of the synthesis route, please refer to the original source to ensure accuracy.