4-Nitrosophenol
TL;DR: 4-Nitrosophenol (CAS 104-91-6) is a chemical compound with molecular formula C6H5NO2 and molecular weight 123.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrosophenol
Also Known As: 4-NITROSOPHENOL, p-Nitrosophenol, Nitrosophenol, Quinone monoxime, Quinone oxime
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.03203 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.03203 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Melting Point | 270 to 291 °F (decomposes) (NTP, 1992) |
| Vapor Pressure | 0.15 [mmHg] |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1N=O)O |
| InChIKey | JSTCPNFNKICNNO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrosophenol
Property Insights of 4-Nitrosophenol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrosophenol. With a topological polar surface area (TPSA) of 49.7 Ų, 4-Nitrosophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrosophenol 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 4-Nitrosophenol?
The CAS number of 4-Nitrosophenol is 104-91-6.
What is the molecular formula of 4-Nitrosophenol?
The molecular formula of 4-Nitrosophenol is C6H5NO2.
What is the molecular weight of 4-Nitrosophenol?
The molecular weight of 4-Nitrosophenol is 123.03203 g/mol.
Where can I buy 4-Nitrosophenol?
You can request a quote for 4-Nitrosophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrosophenol?
Yes, CoreyChem provides custom synthesis services for 4-Nitrosophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.