3-Nitrophenol
TL;DR: 3-Nitrophenol (CAS 554-84-7) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitrophenol
Also Known As: 3-Nitrophenol, M-NITROPHENOL, 3-Hydroxynitrobenzene, Phenol, 3-nitro-, m-Hydroxynitrobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5NO3 |
| Molecular Weight | 139.02695 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.02695 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| Melting Point | 205 to 208 °F (NTP, 1992) |
| Boiling Point | 381 °F at 70 mmHg (NTP, 1992) |
| Density | 1.485 at 68 °F 1.2797 at 100 °C (Liquid) (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 70 mmHg at 381 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)O)[N+](=O)[O-] |
| InChIKey | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitrophenol 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. CoreyChem supplies 3-Nitrophenol (CAS 554-84-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Nitrophenol (CAS 554-84-7) is a heterocyclic building block with the molecular formula C6H5NO3 and a molecular weight of 139.03 g/mol. Key physical properties include a density of 1.485 at 68 °F 1.2797 at 100 °C (Liquid) (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 64 °F (NTP, 1992). It is also known as 3-Nitrophenol and M-NITROPHENOL.
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-Nitrophenol
Property Insights of 3-Nitrophenol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenol. Following Lipinski's Rule of Five, 3-Nitrophenol has 1 hydrogen bond donor(s) and 3 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-Nitrophenol?
The CAS number of 3-Nitrophenol is 554-84-7.
What is the molecular formula of 3-Nitrophenol?
The molecular formula of 3-Nitrophenol is C6H5NO3.
What is the molecular weight of 3-Nitrophenol?
The molecular weight of 3-Nitrophenol is 139.02695 g/mol.
What are the applications of 3-Nitrophenol?
3-Nitrophenol 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. CoreyChem supplies 3-Nitrophenol (CAS 554-84-7) with custom...
Where can I buy 3-Nitrophenol?
You can request a quote for 3-Nitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrophenol?
Yes, CoreyChem provides custom synthesis services for 3-Nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.