5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine
TL;DR: 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine (CAS 135399-56-3) is a chemical compound with molecular formula C8H5N3O8 and molecular weight 271.00766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,7-trinitro-2,3-dihydro-1,4-benzodioxine
Also Known As: 5,6,7-trinitrobenzodioxane, 5,6,7-Trinitro-1,4-benzodioxane, 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine, 5,6,7-trinitro-2H,3H-benzo[e]1,4-dioxane, 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine #
Technical Specifications
| Molecular Formula | C8H5N3O8 |
| Molecular Weight | 271.00766 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.00766 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | C1COC2=C(O1)C=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JWGHEORPZNJONK-UHFFFAOYSA-N |
Chemical Property Profile of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine
Property Insights of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine. The TPSA of 156.0 Ų indicates high polarity, suggesting 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine?
The CAS number of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine is 135399-56-3.
What is the molecular formula of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine is C8H5N3O8.
What is the molecular weight of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine is 271.00766 g/mol.
Where can I buy 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine?
Yes, CoreyChem provides custom synthesis services for 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.