对硝基苯酚
TL;DR: 对硝基苯酚 (CAS 100-02-7) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对硝基苯酚
4-nitrophenol
Also Known As: 4-Nitrophenol, p-nitrophenol, Paranitrophenol, Niphen, Phenol, 4-nitro-
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
| Melting Point | 235 to 115.0 °C (Sublimes) |
| Boiling Point | 278.9 °C at 760 mmHg (Decomposes) |
| Density | 1.48 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 191.7 °C |
| Vapor Pressure | 1 mmHg at 20.0 °C ; 18.7 mmHg at 186.1 °C; 2.2 mmHg at 146.1 °C |
Chemical Identifiers
| CAS Number | 100-02-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])O |
| InChIKey | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对硝基苯酚 (CAS 100-02-7), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 4-nitrophenol.
Chemical Property Profile of 对硝基苯酚
Property Insights of 对硝基苯酚
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基苯酚. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基苯酚. Following Lipinski's Rule of Five, 对硝基苯酚 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
Frequently Asked Questions
What is the CAS number of 对硝基苯酚?
The CAS number of 对硝基苯酚 is 100-02-7.
What is the molecular formula of 对硝基苯酚?
The molecular formula of 对硝基苯酚 is C6H5NO3.
What is the molecular weight of 对硝基苯酚?
The molecular weight of 对硝基苯酚 is 139.03 g/mol.
Where can I buy 对硝基苯酚?
You can request a quote for 对硝基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 对硝基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.