4-Nitrophenol
TL;DR: 4-Nitrophenol (CAS 100-02-7) 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.
4-nitrophenol
Also Known As: 4-Nitrophenol, p-nitrophenol, Paranitrophenol, Niphen, Phenol, 4-nitro-
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 | 1.9 |
| 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 | 123.0 |
| Melting Point | 235 to 239 °F (Sublimes) (NTP, 1992) |
| Boiling Point | 534 °F at 760 mmHg (Decomposes) (NTP, 1992) |
| Density | 1.48 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 377 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 68 °F ; 18.7 mmHg at 367 °F; 2.2 mmHg at 295 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])O |
| InChIKey | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrophenol
Property Insights of 4-Nitrophenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenol. Following Lipinski's Rule of Five, 4-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 4-Nitrophenol?
The CAS number of 4-Nitrophenol is 100-02-7.
What is the molecular formula of 4-Nitrophenol?
The molecular formula of 4-Nitrophenol is C6H5NO3.
What is the molecular weight of 4-Nitrophenol?
The molecular weight of 4-Nitrophenol is 139.02695 g/mol.
Where can I buy 4-Nitrophenol?
You can request a quote for 4-Nitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophenol?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.