Benzoic acid, 4-nitro-, propyl ester
TL;DR: Benzoic acid, 4-nitro-, propyl ester (CAS 94-22-4) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 4-nitrobenzoate
Also Known As: Propyl 4-nitrobenzoate, n-Propyl p-nitrobenzoate, Propyl p-nitrobenzoate, Benzoic acid, 4-nitro-, propyl ester, Benzoic acid, propyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 228.0 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KXUOYHZSTGGNCK-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 4-nitro-, propyl ester is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-nitro-, propyl ester (CAS 94-22-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzoic acid, 4-nitro-, propyl ester is a organic building block identified by CAS number 94-22-4 and the molecular formula C10H11NO4 and a molecular weight of 209.07 g/mol. It is also known as Propyl 4-nitrobenzoate and n-Propyl 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 Benzoic acid, 4-nitro-, propyl ester
Property Insights of Benzoic acid, 4-nitro-, propyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-nitro-, propyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-nitro-, propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-nitro-, propyl ester 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 Benzoic acid, 4-nitro-, propyl ester?
The CAS number of Benzoic acid, 4-nitro-, propyl ester is 94-22-4.
What is the molecular formula of Benzoic acid, 4-nitro-, propyl ester?
The molecular formula of Benzoic acid, 4-nitro-, propyl ester is C10H11NO4.
What is the molecular weight of Benzoic acid, 4-nitro-, propyl ester?
The molecular weight of Benzoic acid, 4-nitro-, propyl ester is 209.0688 g/mol.
What are the applications of Benzoic acid, 4-nitro-, propyl ester?
Benzoic acid, 4-nitro-, propyl ester is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid,...
Where can I buy Benzoic acid, 4-nitro-, propyl ester?
You can request a quote for Benzoic acid, 4-nitro-, propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-nitro-, propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-nitro-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.