4-硝基苯胺
TL;DR: 4-硝基苯胺 (CAS 100-01-6) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯胺
4-nitroaniline
Also Known As: 4-NITROANILINE, p-Nitroaniline, p-Nitraniline, 4-Nitrobenzenamine, p-Aminonitrobenzene
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Melting Point | 147.8 °C |
| Boiling Point | 336.1 °C at 760 mmHg |
| Density | 1.44 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 198.9 °C |
| Vapor Pressure | 0.0015 mmHg at 20.0 °C ; 0.007 mmHg at 30.0 °C |
Chemical Identifiers
| CAS Number | 100-01-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N)[N+](=O)[O-] |
| InChIKey | TYMLOMAKGOJONV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯胺 (CAS 100-01-6), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 4-nitroaniline.
Chemical Property Profile of 4-硝基苯胺
Property Insights of 4-硝基苯胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯胺. Following Lipinski's Rule of Five, 4-硝基苯胺 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
Frequently Asked Questions
What is the CAS number of 4-硝基苯胺?
The CAS number of 4-硝基苯胺 is 100-01-6.
What is the molecular formula of 4-硝基苯胺?
The molecular formula of 4-硝基苯胺 is C6H6N2O2.
What is the molecular weight of 4-硝基苯胺?
The molecular weight of 4-硝基苯胺 is 138.04 g/mol.
Where can I buy 4-硝基苯胺?
You can request a quote for 4-硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.