Trichlorodinitrobenzene
TL;DR: Trichlorodinitrobenzene (CAS 8003-46-1) is a chemical compound with molecular formula C6HCl3N2O4 and molecular weight 269.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4,5-dinitrobenzene
Also Known As: Brassisan, Brassisan [German], Chemagro 2635, TRICHLORODINITROBENZENE, Dinitrotrichlorobenzene
| Molecular Formula | C6HCl3N2O4 |
|---|---|
| Molecular Weight | 269.90 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.90018 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 8003-46-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AKQZAPAZPCWKJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichlorodinitrobenzene (CAS 8003-46-1), with molecular formula C6HCl3N2O4 and molecular weight 269.90 g/mol. IUPAC: 1,2,3-trichloro-4,5-dinitrobenzene.
Chemical Property Profile of Trichlorodinitrobenzene
Property Insights of Trichlorodinitrobenzene
The XLogP value of 4.1 indicates that Trichlorodinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichlorodinitrobenzene. Following Lipinski's Rule of Five, Trichlorodinitrobenzene has 0 hydrogen bond donor(s) and 4 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 Trichlorodinitrobenzene?
The CAS number of Trichlorodinitrobenzene is 8003-46-1.
What is the molecular formula of Trichlorodinitrobenzene?
The molecular formula of Trichlorodinitrobenzene is C6HCl3N2O4.
What is the molecular weight of Trichlorodinitrobenzene?
The molecular weight of Trichlorodinitrobenzene is 269.90 g/mol.
Where can I buy Trichlorodinitrobenzene?
You can request a quote for Trichlorodinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichlorodinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for Trichlorodinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.