1,2,3,4-Tetrabromodibenzo-p-dioxin
TL;DR: 1,2,3,4-Tetrabromodibenzo-p-dioxin (CAS 104549-41-9) is a chemical compound with molecular formula C12H4Br4O2 and molecular weight 495.6945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrabromodibenzo-p-dioxin
Also Known As: 1,2,3,4-Tetrabromodibenzo-p-dioxin, TeBDD, 1,2,3,4-tetrabromooxanthrene, Tetrabromodibenzodioxin, Tetrabromodibenzo-p-dioxin
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H4Br4O2 |
| Molecular Weight | 495.6945 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 499.69037 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | C1=CC=C2C(=C1)OC3=C(O2)C(=C(C(=C3Br)Br)Br)Br |
| InChIKey | AKUPIABWVUYZPX-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,4-Tetrabromodibenzo-p-dioxin
Property Insights of 1,2,3,4-Tetrabromodibenzo-p-dioxin
The XLogP value of 7.4 indicates that 1,2,3,4-Tetrabromodibenzo-p-dioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2,3,4-Tetrabromodibenzo-p-dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrabromodibenzo-p-dioxin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2,3,4-Tetrabromodibenzo-p-dioxin?
The CAS number of 1,2,3,4-Tetrabromodibenzo-p-dioxin is 104549-41-9.
What is the molecular formula of 1,2,3,4-Tetrabromodibenzo-p-dioxin?
The molecular formula of 1,2,3,4-Tetrabromodibenzo-p-dioxin is C12H4Br4O2.
What is the molecular weight of 1,2,3,4-Tetrabromodibenzo-p-dioxin?
The molecular weight of 1,2,3,4-Tetrabromodibenzo-p-dioxin is 495.6945 g/mol.
Where can I buy 1,2,3,4-Tetrabromodibenzo-p-dioxin?
You can request a quote for 1,2,3,4-Tetrabromodibenzo-p-dioxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,4-Tetrabromodibenzo-p-dioxin?
Yes, CoreyChem provides custom synthesis services for 1,2,3,4-Tetrabromodibenzo-p-dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.