Ethyl 4-nitrobenzoate
TL;DR: Ethyl 4-nitrobenzoate (CAS 99-77-4) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-nitrobenzoate
Also Known As: Ethyl 4-nitrobenzoate, Ethyl p-nitrobenzoate, 4-Nitrobenzoic acid ethyl ester, Tazasubrate, ETHYL-P-NITROBENZOATE
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.05316 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PHWSCBWNPZDYRI-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 4-nitrobenzoate 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. CoreyChem supplies Ethyl 4-nitrobenzoate (CAS 99-77-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Ethyl 4-nitrobenzoate (CAS 99-77-4) has the molecular formula C9H9NO4 and a molecular weight of 195.05 g/mol. It is also known as Ethyl 4-nitrobenzoate and Ethyl p-nitrobenzoate.
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 Ethyl 4-nitrobenzoate
Property Insights of Ethyl 4-nitrobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-nitrobenzoate?
The CAS number of Ethyl 4-nitrobenzoate is 99-77-4.
What is the molecular formula of Ethyl 4-nitrobenzoate?
The molecular formula of Ethyl 4-nitrobenzoate is C9H9NO4.
What is the molecular weight of Ethyl 4-nitrobenzoate?
The molecular weight of Ethyl 4-nitrobenzoate is 195.05316 g/mol.
What are the applications of Ethyl 4-nitrobenzoate?
Ethyl 4-nitrobenzoate 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. CoreyChem supplies Ethyl...
Where can I buy Ethyl 4-nitrobenzoate?
You can request a quote for Ethyl 4-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.