![4,5-Dinitrobenzo[d][1,3]dioxole structure](/static/products/379/37966-73-7.png)
4,5-Dinitrobenzo[d][1,3]dioxole
TL;DR: 4,5-Dinitrobenzo[d][1,3]dioxole (CAS 37966-73-7) is a chemical compound with molecular formula C7H4N2O6 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dinitro-1,3-benzodioxole
Also Known As: Dinitro-methylendioxybenzole, 4,5-dinitro-1,3-benzodioxole, 4,5-dinitrobenzo[d][1,3]dioxole, 4,5-DINITRO-2H-1,3-BENZODIOXOLE
| Molecular Formula | C7H4N2O6 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.2317 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.00694 |
| Heavy Atoms | 15 |
| Complexity | 457.0388 |
Chemical Identifiers
| CAS Number | 37966-73-7 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4,5-Dinitrobenzo[d][1,3]dioxole (CAS 37966-73-7), with molecular formula C7H4N2O6 and molecular weight 212.01 g/mol. IUPAC: 4,5-dinitro-1,3-benzodioxole.
Chemical Property Profile of 4,5-Dinitrobenzo[d][1,3]dioxole
Property Insights of 4,5-Dinitrobenzo[d][1,3]dioxole
The XLogP value of 1.2317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dinitrobenzo[d][1,3]dioxole. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dinitrobenzo[d][1,3]dioxole. Following Lipinski's Rule of Five, 4,5-Dinitrobenzo[d][1,3]dioxole 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 4,5-Dinitrobenzo[d][1,3]dioxole?
The CAS number of 4,5-Dinitrobenzo[d][1,3]dioxole is 37966-73-7.
What is the molecular formula of 4,5-Dinitrobenzo[d][1,3]dioxole?
The molecular formula of 4,5-Dinitrobenzo[d][1,3]dioxole is C7H4N2O6.
What is the molecular weight of 4,5-Dinitrobenzo[d][1,3]dioxole?
The molecular weight of 4,5-Dinitrobenzo[d][1,3]dioxole is 212.01 g/mol.
Where can I buy 4,5-Dinitrobenzo[d][1,3]dioxole?
You can request a quote for 4,5-Dinitrobenzo[d][1,3]dioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dinitrobenzo[d][1,3]dioxole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dinitrobenzo[d][1,3]dioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.