2,6-二氯-4-硝基苯胺
TL;DR: 2,6-二氯-4-硝基苯胺 (CAS 99-30-9) is a chemical compound with molecular formula C6H4Cl2N2O2 and molecular weight 205.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯-4-硝基苯胺
2,6-dichloro-4-nitroaniline
Also Known As: Dicloran, Dichloran, 2,6-DICHLORO-4-NITROANILINE, Allisan, Botran
| Molecular Formula | C6H4Cl2N2O2 |
|---|---|
| Molecular Weight | 205.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.96498 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| Melting Point | 374 to 192.2 °C |
| Boiling Point | at 0.27kPa: 130 °C |
| Density | 0.28 (bulk) |
| Solubility | less than 0.1 mg/mL at 77 °F (NTP, 1992) |
| Vapor Pressure | 1.2e-06 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 99-30-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-] |
| InChIKey | BIXZHMJUSMUDOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯-4-硝基苯胺 (CAS 99-30-9), with molecular formula C6H4Cl2N2O2 and molecular weight 205.96 g/mol. IUPAC: 2,6-dichloro-4-nitroaniline.
Chemical Property Profile of 2,6-二氯-4-硝基苯胺
Property Insights of 2,6-二氯-4-硝基苯胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氯-4-硝基苯胺. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-二氯-4-硝基苯胺. Following Lipinski's Rule of Five, 2,6-二氯-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 2,6-二氯-4-硝基苯胺?
The CAS number of 2,6-二氯-4-硝基苯胺 is 99-30-9.
What is the molecular formula of 2,6-二氯-4-硝基苯胺?
The molecular formula of 2,6-二氯-4-硝基苯胺 is C6H4Cl2N2O2.
What is the molecular weight of 2,6-二氯-4-硝基苯胺?
The molecular weight of 2,6-二氯-4-硝基苯胺 is 205.96 g/mol.
Where can I buy 2,6-二氯-4-硝基苯胺?
You can request a quote for 2,6-二氯-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 2,6-二氯-4-硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯-4-硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.