3-Nitroanisole
TL;DR: 3-Nitroanisole (CAS 555-03-3) 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-3-nitrobenzene
Also Known As: 3-Nitroanisole, 1-Methoxy-3-nitrobenzene, M-NITROANISOLE, m-Methoxynitrobenzene, 3-Methoxynitrobenzene
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.04259 g/mol |
| XLogP | 2.2 |
| 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 | 143.0 |
| SMILES | COC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | WGYFINWERLNPHR-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitroanisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Nitroanisole (CAS 555-03-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Nitroanisole (CAS 555-03-3) is a heterocyclic building block with the molecular formula C7H7NO3 and a molecular weight of 153.04 g/mol. It is also known as 3-Nitroanisole and 1-Methoxy-3-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 3-Nitroanisole
Property Insights of 3-Nitroanisole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Nitroanisole?
The CAS number of 3-Nitroanisole is 555-03-3.
What is the molecular formula of 3-Nitroanisole?
The molecular formula of 3-Nitroanisole is C7H7NO3.
What is the molecular weight of 3-Nitroanisole?
The molecular weight of 3-Nitroanisole is 153.04259 g/mol.
What are the applications of 3-Nitroanisole?
3-Nitroanisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Nitroanisole (CAS 555-03-3) with...
Where can I buy 3-Nitroanisole?
You can request a quote for 3-Nitroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitroanisole?
Yes, CoreyChem provides custom synthesis services for 3-Nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.