1,3-Dinitro-2,4,5-trichlorobenzene
TL;DR: 1,3-Dinitro-2,4,5-trichlorobenzene (CAS 2678-21-9) is a chemical compound with molecular formula C6HCl3N2O4 and molecular weight 269.90018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-3,5-dinitrobenzene
Also Known As: Brassisan, Olpizan, 1,2,4-Trichloro-3,5-dinitrobenzene, OLPISAN, 1,3-Dinitro-2,4,5-trichlorobenzene
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HCl3N2O4 |
| Molecular Weight | 269.90018 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.90018 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | OFMRACCIIIDSDN-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dinitro-2,4,5-trichlorobenzene
Property Insights of 1,3-Dinitro-2,4,5-trichlorobenzene
The XLogP value of 3.1 indicates that 1,3-Dinitro-2,4,5-trichlorobenzene 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 1,3-Dinitro-2,4,5-trichlorobenzene. Following Lipinski's Rule of Five, 1,3-Dinitro-2,4,5-trichlorobenzene 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
What is the CAS number of 1,3-Dinitro-2,4,5-trichlorobenzene?
The CAS number of 1,3-Dinitro-2,4,5-trichlorobenzene is 2678-21-9.
What is the molecular formula of 1,3-Dinitro-2,4,5-trichlorobenzene?
The molecular formula of 1,3-Dinitro-2,4,5-trichlorobenzene is C6HCl3N2O4.
What is the molecular weight of 1,3-Dinitro-2,4,5-trichlorobenzene?
The molecular weight of 1,3-Dinitro-2,4,5-trichlorobenzene is 269.90018 g/mol.
Where can I buy 1,3-Dinitro-2,4,5-trichlorobenzene?
You can request a quote for 1,3-Dinitro-2,4,5-trichlorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dinitro-2,4,5-trichlorobenzene?
Yes, CoreyChem provides custom synthesis services for 1,3-Dinitro-2,4,5-trichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.