2,4-二硝基苯胺
TL;DR: 2,4-二硝基苯胺 (CAS 97-02-9) is a chemical compound with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二硝基苯胺
2,4-dinitroaniline
Also Known As: 2,4-DINITROANILINE, Benzenamine, 2,4-dinitro-, 2,4-Dinitroanilin, 2,4-Dinitroanilina, 2,4-Dinitrobenzenamine
| Molecular Formula | C6H5N3O4 |
|---|---|
| Molecular Weight | 183.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.028 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
| Melting Point | 349 to 177.8 °C |
| Boiling Point | 56.7 °C |
| Density | 1.615 at 15.0 °C |
| Solubility | less than 0.1 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 223.9 °C |
| Vapor Pressure | 0.0000268 [mmHg] |
Chemical Identifiers
| CAS Number | 97-02-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | LXQOQPGNCGEELI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二硝基苯胺 (CAS 97-02-9), with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol. IUPAC: 2,4-dinitroaniline.
Chemical Property Profile of 2,4-二硝基苯胺
Property Insights of 2,4-二硝基苯胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二硝基苯胺. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二硝基苯胺. Following Lipinski's Rule of Five, 2,4-二硝基苯胺 has 1 hydrogen bond donor(s) and 5 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 2,4-二硝基苯胺?
The CAS number of 2,4-二硝基苯胺 is 97-02-9.
What is the molecular formula of 2,4-二硝基苯胺?
The molecular formula of 2,4-二硝基苯胺 is C6H5N3O4.
What is the molecular weight of 2,4-二硝基苯胺?
The molecular weight of 2,4-二硝基苯胺 is 183.03 g/mol.
Where can I buy 2,4-二硝基苯胺?
You can request a quote for 2,4-二硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.