4-Nitroaniline
TL;DR: 4-Nitroaniline (CAS 100-01-6) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitroaniline
Also Known As: 4-NITROANILINE, p-Nitroaniline, p-Nitraniline, 4-Nitrobenzenamine, p-Aminonitrobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.04292 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.04292 Da |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Melting Point | 298 °F (NTP, 1992) |
| Boiling Point | 637 °F at 760 mmHg (NTP, 1992) |
| Density | 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 390 °F (NTP, 1992) |
| Vapor Pressure | 0.0015 mmHg at 68 °F ; 0.007 mmHg at 86 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1N)[N+](=O)[O-] |
| InChIKey | TYMLOMAKGOJONV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitroaniline
Property Insights of 4-Nitroaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroaniline. Following Lipinski's Rule of Five, 4-Nitroaniline 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-Nitroaniline?
The CAS number of 4-Nitroaniline is 100-01-6.
What is the molecular formula of 4-Nitroaniline?
The molecular formula of 4-Nitroaniline is C6H6N2O2.
What is the molecular weight of 4-Nitroaniline?
The molecular weight of 4-Nitroaniline is 138.04292 g/mol.
Where can I buy 4-Nitroaniline?
You can request a quote for 4-Nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitroaniline?
Yes, CoreyChem provides custom synthesis services for 4-Nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.