4-Nitroanisole
TL;DR: 4-Nitroanisole (CAS 100-17-4) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-4-nitrobenzene
Also Known As: 4-Nitroanisole, 1-Methoxy-4-nitrobenzene, P-NITROANISOLE, 4-Methoxynitrobenzene, Nitroanisole
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.04259 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04259 Da |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
| Melting Point | 48.9 °F (NTP, 1992) |
| Boiling Point | 531 °F at 760 mmHg (NTP, 1992) |
| Density | 1.254 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 230 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 127 °F ; 18.5 mmHg at 167 °F; 30.0 mmHg at 194 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
| SMILES | COC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitroanisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Nitroanisole (CAS 100-17-4) is a heterocyclic building block with the molecular formula C7H7NO3 and a molecular weight of 153.04 g/mol. Key physical properties include a density of 1.254 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 75 °F (NTP, 1992). Synonyms include 4-Nitroanisole and 1-Methoxy-4-nitrobenzene.
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-Nitroanisole
Property Insights of 4-Nitroanisole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitroanisole 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-Nitroanisole?
The CAS number of 4-Nitroanisole is 100-17-4.
What is the molecular formula of 4-Nitroanisole?
The molecular formula of 4-Nitroanisole is C7H7NO3.
What is the molecular weight of 4-Nitroanisole?
The molecular weight of 4-Nitroanisole is 153.04259 g/mol.
What are the applications of 4-Nitroanisole?
4-Nitroanisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 4-Nitroanisole?
You can request a quote for 4-Nitroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitroanisole?
Yes, CoreyChem provides custom synthesis services for 4-Nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.