2-Chloro-1-(3-nitrophenyl)ethanone
TL;DR: 2-Chloro-1-(3-nitrophenyl)ethanone (CAS 99-47-8) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-(3-nitrophenyl)ethanone
Also Known As: Stypnon, Acetophenone, 2-chloro-m-nitro-, 2-Chloro-m-nitroacetophenone, USAF MA-8, 2-chloro-1-(3-nitrophenyl)ethanone
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6ClNO3 |
| Molecular Weight | 199.00362 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.00362 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCl |
| InChIKey | LBHUVZXFCGZYDL-UHFFFAOYSA-N |
Product Description
Applications: 2-Chloro-1-(3-nitrophenyl)ethanone 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).
A heterocyclic building block supplied by CoreyChem, 2-Chloro-1-(3-nitrophenyl)ethanone (CAS 99-47-8) has the molecular formula C8H6ClNO3 and a molecular weight of 199 g/mol. Synonyms include Stypnon and Acetophenone, 2-chloro-m-nitro-.
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-Chloro-1-(3-nitrophenyl)ethanone
Property Insights of 2-Chloro-1-(3-nitrophenyl)ethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3-nitrophenyl)ethanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1-(3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-Chloro-1-(3-nitrophenyl)ethanone 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-Chloro-1-(3-nitrophenyl)ethanone?
The CAS number of 2-Chloro-1-(3-nitrophenyl)ethanone is 99-47-8.
What is the molecular formula of 2-Chloro-1-(3-nitrophenyl)ethanone?
The molecular formula of 2-Chloro-1-(3-nitrophenyl)ethanone is C8H6ClNO3.
What is the molecular weight of 2-Chloro-1-(3-nitrophenyl)ethanone?
The molecular weight of 2-Chloro-1-(3-nitrophenyl)ethanone is 199.00362 g/mol.
What are the applications of 2-Chloro-1-(3-nitrophenyl)ethanone?
2-Chloro-1-(3-nitrophenyl)ethanone 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...
Where can I buy 2-Chloro-1-(3-nitrophenyl)ethanone?
You can request a quote for 2-Chloro-1-(3-nitrophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-(3-nitrophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-(3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.