3-Nitrophenylboronic Acid
TL;DR: 3-Nitrophenylboronic Acid (CAS 13331-27-6) is a chemical compound with molecular formula C6H6BNO4 and molecular weight 167.03899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl)boronic acid
Also Known As: 3-nitrophenylboronic acid, 3-Nitrobenzeneboronic acid, (3-nitrophenyl)boronic acid, m-Nitrophenylboronic acid, Boronic acid, (3-nitrophenyl)-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6BNO4 |
| Molecular Weight | 167.03899 g/mol |
| XLogP | -0.73 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.03899 Da |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| SMILES | B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O |
| InChIKey | ZNRGSYUVFVNSAW-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitrophenylboronic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Nitrophenylboronic Acid (CAS 13331-27-6) is a heterocyclic building block with the molecular formula C6H6BNO4 and a molecular weight of 167.04 g/mol. Synonyms include 3-nitrophenylboronic acid and 3-Nitrobenzeneboronic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Nitrophenylboronic Acid
Property Insights of 3-Nitrophenylboronic Acid
The XLogP value of -0.73 indicates that 3-Nitrophenylboronic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenylboronic Acid. Following Lipinski's Rule of Five, 3-Nitrophenylboronic Acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitrophenylboronic Acid?
The CAS number of 3-Nitrophenylboronic Acid is 13331-27-6.
What is the molecular formula of 3-Nitrophenylboronic Acid?
The molecular formula of 3-Nitrophenylboronic Acid is C6H6BNO4.
What is the molecular weight of 3-Nitrophenylboronic Acid?
The molecular weight of 3-Nitrophenylboronic Acid is 167.03899 g/mol.
What are the applications of 3-Nitrophenylboronic Acid?
3-Nitrophenylboronic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 3-Nitrophenylboronic Acid?
You can request a quote for 3-Nitrophenylboronic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrophenylboronic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Nitrophenylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.