6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine
TL;DR: 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine (CAS 66742-58-3) is a chemical compound with molecular formula C10H4Cl6N2O6 and molecular weight 457.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dinitro-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine
Also Known As: 6,8-dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine, 6,8-dinitro-2,4-bis(trichloromethyl)-1,3-benzdioxin, 6,8-Dinitro-2,4-bis(trichloromethyl)-2H,4H-1,3-benzodioxine, RefChem:306347
| Molecular Formula | C10H4Cl6N2O6 |
|---|---|
| Molecular Weight | 457.82 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 457.82004 |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 66742-58-3 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(OC(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FHFYDARLLMBMPK-UHFFFAOYSA-N |
Product Overview
6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine (CAS 66742-58-3), with molecular formula C10H4Cl6N2O6 and molecular weight 457.82 g/mol. IUPAC: 6,8-dinitro-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine.
Chemical Property Profile of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine
Property Insights of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine
The XLogP value of 4.9 indicates that 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine. Following Lipinski's Rule of Five, 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine has 0 hydrogen bond donor(s) and 6 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 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine?
The CAS number of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine is 66742-58-3.
What is the molecular formula of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine?
The molecular formula of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine is C10H4Cl6N2O6.
What is the molecular weight of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine?
The molecular weight of 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine is 457.82 g/mol.
Where can I buy 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine?
You can request a quote for 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dinitro-2,4-bis(trichloromethyl)-4h-1,3-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.