2-Nitroanisole
TL;DR: 2-Nitroanisole (CAS 91-23-6) 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-2-nitrobenzene
Also Known As: 2-Nitroanisole, 1-Methoxy-2-nitrobenzene, O-NITROANISOLE, Anisole, o-nitro-, 2-Methoxynitrobenzene
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.04259 g/mol |
| XLogP | 1.7 |
| 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 |
| Melting Point | 10.5 °C |
| Boiling Point | 277 °C; 144 °C at 4 mm Hg |
| Density | 1.2540 g/cu cm at 20 °C |
| Flash Point | 124 °C |
| Vapor Pressure | 0.0036 [mmHg] |
| Refractive Index | Index of refraction = 1.5161 at 20 °C/D |
| Solubility | Miscible with ethanol, ethyl ether; soluble in carbon tetrachloride |
| SMILES | COC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
Product Description
Applications: 2-Nitroanisole is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
2-Nitroanisole (CAS 91-23-6) is a organic building block with the molecular formula C7H7NO3 and a molecular weight of 153.04 g/mol. Key physical properties include a density of 1.2540 g/cu cm at 20 °C g/cm³, a solubility: Miscible with ethanol, ethyl ether; soluble in carbon tetrachloride. Synonyms include 2-Nitroanisole and 1-Methoxy-2-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 2-Nitroanisole
Property Insights of 2-Nitroanisole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Nitroanisole?
The CAS number of 2-Nitroanisole is 91-23-6.
What is the molecular formula of 2-Nitroanisole?
The molecular formula of 2-Nitroanisole is C7H7NO3.
What is the molecular weight of 2-Nitroanisole?
The molecular weight of 2-Nitroanisole is 153.04259 g/mol.
What are the applications of 2-Nitroanisole?
2-Nitroanisole is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 2-Nitroanisole?
You can request a quote for 2-Nitroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitroanisole?
Yes, CoreyChem provides custom synthesis services for 2-Nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.