4-Nitrophenetol
TL;DR: 4-Nitrophenetol (CAS 100-29-8) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-4-nitrobenzene
Also Known As: 4-NITROPHENETOLE, p-Nitrophenetole, 1-Ethoxy-4-nitrobenzene, p-Nitrophenetol, 4-Nitrophenetol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Melting Point | 60 °C |
| Boiling Point | 283 °C |
| Density | 1.1176 AT 100 °C |
| Solubility | SLIGHTLY SOL IN WATER, ALCOHOL; SOL IN HOT PETROLEUM ETHER; VERY SOL IN HOT ALCOHOL, DIETHYL ETHER; SOL IN ALL PROPORTIONS IN ACETONE, BENZENE |
| Flash Point | 90 °C |
| Vapor Pressure | 0.00623 [mmHg] |
Chemical Identifiers
| CAS Number | 100-29-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NWPKEYHUZKMWKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenetol (CAS 100-29-8), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 1-ethoxy-4-nitrobenzene.
Chemical Property Profile of 4-Nitrophenetol
Property Insights of 4-Nitrophenetol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenetol. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Nitrophenetol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrophenetol has 0 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 4-Nitrophenetol?
The CAS number of 4-Nitrophenetol is 100-29-8.
What is the molecular formula of 4-Nitrophenetol?
The molecular formula of 4-Nitrophenetol is C8H9NO3.
What is the molecular weight of 4-Nitrophenetol?
The molecular weight of 4-Nitrophenetol is 167.06 g/mol.
Where can I buy 4-Nitrophenetol?
You can request a quote for 4-Nitrophenetol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenetol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenetol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.