2,3,4,5-Tetrachloronitrobenzene
TL;DR: 2,3,4,5-Tetrachloronitrobenzene (CAS 879-39-0) is a chemical compound with molecular formula C6HCl4NO2 and molecular weight 258.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrachloro-5-nitrobenzene
Also Known As: 2,3,4,5-TETRACHLORONITROBENZENE, 1,2,3,4-Tetrachloro-5-nitrobenzene, Fusarex, TCBN, Folsan
| Molecular Formula | C6HCl4NO2 |
|---|---|
| Molecular Weight | 258.88 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.8732 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| Melting Point | 149 to 67.2 °C |
| Boiling Point | 66 °C |
| Solubility | Solubility: 28.0 mg/L (water) /Tetrachloronitrobenzene/ |
| Vapor Pressure | 0.000138 [mmHg] |
Chemical Identifiers
| CAS Number | 879-39-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | MTBYTWZDRVOMBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrachloronitrobenzene (CAS 879-39-0), with molecular formula C6HCl4NO2 and molecular weight 258.88 g/mol. IUPAC: 1,2,3,4-tetrachloro-5-nitrobenzene.
Chemical Property Profile of 2,3,4,5-Tetrachloronitrobenzene
Property Insights of 2,3,4,5-Tetrachloronitrobenzene
The XLogP value of 4.9 indicates that 2,3,4,5-Tetrachloronitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2,3,4,5-Tetrachloronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrachloronitrobenzene has 0 hydrogen bond donor(s) and 2 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 2,3,4,5-Tetrachloronitrobenzene?
The CAS number of 2,3,4,5-Tetrachloronitrobenzene is 879-39-0.
What is the molecular formula of 2,3,4,5-Tetrachloronitrobenzene?
The molecular formula of 2,3,4,5-Tetrachloronitrobenzene is C6HCl4NO2.
What is the molecular weight of 2,3,4,5-Tetrachloronitrobenzene?
The molecular weight of 2,3,4,5-Tetrachloronitrobenzene is 258.88 g/mol.
Where can I buy 2,3,4,5-Tetrachloronitrobenzene?
You can request a quote for 2,3,4,5-Tetrachloronitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrachloronitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrachloronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.