间硝基苯胺
TL;DR: 间硝基苯胺 (CAS 99-09-2) 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.
间硝基苯胺
3-nitroaniline
Also Known As: 3-Nitroaniline, M-NITROANILINE, m-Nitraniline, Nitranilin, 3-Nitrobenzenamine
| 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 | 132.0 |
| Melting Point | 113.9 °C |
| Boiling Point | 581 to 307.2 °C at 760 mmHg (decomposes) |
| Density | 0.9011 at 25.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72.5 °F (NTP, 1992) |
| Flash Point | 199 °C |
| Vapor Pressure | 1 mmHg at 119.3 °C ; 760 mmHg at 305.7 °C |
Chemical Identifiers
| CAS Number | 99-09-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N |
| InChIKey | XJCVRTZCHMZPBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间硝基苯胺 (CAS 99-09-2), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 3-nitroaniline.
Chemical Property Profile of 间硝基苯胺
Property Insights of 间硝基苯胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间硝基苯胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 间硝基苯胺. Following Lipinski's Rule of Five, 间硝基苯胺 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 间硝基苯胺?
The CAS number of 间硝基苯胺 is 99-09-2.
What is the molecular formula of 间硝基苯胺?
The molecular formula of 间硝基苯胺 is C6H6N2O2.
What is the molecular weight of 间硝基苯胺?
The molecular weight of 间硝基苯胺 is 138.04 g/mol.
Where can I buy 间硝基苯胺?
You can request a quote for 间硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 间硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.