4-Nitrophenetol
TL;DR: 4-Nitrophenetol (CAS 100-29-8) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethoxy-4-nitrobenzene
Also Known As: 4-NITROPHENETOLE, p-Nitrophenetole, 1-Ethoxy-4-nitrobenzene, p-Nitrophenetol, 4-Nitrophenetol
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Melting Point | 60 °C |
| Boiling Point | 283 °C |
| Density | 1.1176 AT 100 °C/4 °C |
| Flash Point | 90 °C |
| Vapor Pressure | 0.00623 [mmHg] |
| 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 |
| SMILES | CCOC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NWPKEYHUZKMWKJ-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitrophenetol is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitrophenetol (CAS 100-29-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Nitrophenetol (CAS 100-29-8) is a organic building block with the molecular formula C8H9NO3 and a molecular weight of 167.06 g/mol. Key physical properties include a density of 1.1176 AT 100 °C/4 °C g/cm³, a 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. It is also known as 4-NITROPHENETOLE and p-Nitrophenetole.
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 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
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 167.05824 g/mol.
What are the applications of 4-Nitrophenetol?
4-Nitrophenetol is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitrophenetol (CAS 100-29-8) with...
Where can I buy 4-Nitrophenetol?
You can request a quote for 4-Nitrophenetol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophenetol?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophenetol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.