m-Nitroacetophenone
TL;DR: m-Nitroacetophenone (CAS 121-89-1) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-nitrophenyl)ethanone
Also Known As: 3'-Nitroacetophenone, 3-Nitroacetophenone, M-NITROACETOPHENONE, 1-(3-Nitrophenyl)ethanone, m-Acetylnitrobenzene
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.04259 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 Da |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| Melting Point | 178 °F (NTP, 1992) |
| Boiling Point | 396 °F at 760 mmHg (NTP, 1992) |
| Vapor Pressure | 0.0024 [mmHg] |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | ARKIFHPFTHVKDT-UHFFFAOYSA-N |
Product Description
Applications: m-Nitroacetophenone 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
m-Nitroacetophenone is a heterocyclic building block identified by CAS number 121-89-1 and the molecular formula C8H7NO3 and a molecular weight of 165.04 g/mol. Physically, the compound has a solubility: less than 0.1 mg/mL at 68 °F (NTP, 1992). Synonyms include 3'-Nitroacetophenone and 3-Nitroacetophenone.
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 m-Nitroacetophenone
Property Insights of m-Nitroacetophenone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Nitroacetophenone. Following Lipinski's Rule of Five, m-Nitroacetophenone 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 m-Nitroacetophenone?
The CAS number of m-Nitroacetophenone is 121-89-1.
What is the molecular formula of m-Nitroacetophenone?
The molecular formula of m-Nitroacetophenone is C8H7NO3.
What is the molecular weight of m-Nitroacetophenone?
The molecular weight of m-Nitroacetophenone is 165.04259 g/mol.
What are the applications of m-Nitroacetophenone?
m-Nitroacetophenone 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. Available from CoreyChem as both catalog item and...
Where can I buy m-Nitroacetophenone?
You can request a quote for m-Nitroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for m-Nitroacetophenone?
Yes, CoreyChem provides custom synthesis services for m-Nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.