4-Nitroacetanilide
TL;DR: 4-Nitroacetanilide (CAS 104-04-1) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-nitrophenyl)acetamide
Also Known As: N-(4-Nitrophenyl)acetamide, 4'-Nitroacetanilide, 4-NITROACETANILIDE, P-Nitroacetanilide, N-Acetyl-4-nitroaniline
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.0535 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 Da |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NQRLPDFELNCFHW-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitroacetanilide is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitroacetanilide (CAS 104-04-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Nitroacetanilide is a photographic chemical identified by CAS number 104-04-1 and the molecular formula C8H8N2O3 and a molecular weight of 180.05 g/mol. It is also known as N-(4-Nitrophenyl)acetamide and 4'-Nitroacetanilide.
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 4-Nitroacetanilide
Property Insights of 4-Nitroacetanilide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroacetanilide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroacetanilide. Following Lipinski's Rule of Five, 4-Nitroacetanilide has 1 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 4-Nitroacetanilide?
The CAS number of 4-Nitroacetanilide is 104-04-1.
What is the molecular formula of 4-Nitroacetanilide?
The molecular formula of 4-Nitroacetanilide is C8H8N2O3.
What is the molecular weight of 4-Nitroacetanilide?
The molecular weight of 4-Nitroacetanilide is 180.0535 g/mol.
What are the applications of 4-Nitroacetanilide?
4-Nitroacetanilide is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitroacetanilide (CAS...
Where can I buy 4-Nitroacetanilide?
You can request a quote for 4-Nitroacetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitroacetanilide?
Yes, CoreyChem provides custom synthesis services for 4-Nitroacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.