3,4,5,6-Tetrabromo-o-xylene
TL;DR: 3,4,5,6-Tetrabromo-o-xylene (CAS 2810-69-7) is a chemical compound with molecular formula C8H6Br4 and molecular weight 417.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrabromo-5,6-dimethylbenzene
Also Known As: tetrabromoxylene, Tetrabromo-o-xylene, tetrabrom-o-xylol, 1,2,3,4-tetrabromo-5,6-dimethylbenzene, 3,4,5,6-TETRABROMO-O-XYLENE
| Molecular Formula | C8H6Br4 |
|---|---|
| Molecular Weight | 417.72 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 421.7162 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| Melting Point | 262.2 °C |
| Boiling Point | 705 to 375.0 °C at 760 mmHg |
| Solubility | Insoluble (<1 mg/ml at 70 °F) (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2810-69-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Br)Br)Br)Br)C |
| InChIKey | WVJRAJZMOVQFEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6-Tetrabromo-o-xylene (CAS 2810-69-7), with molecular formula C8H6Br4 and molecular weight 417.72 g/mol. IUPAC: 1,2,3,4-tetrabromo-5,6-dimethylbenzene.
Chemical Property Profile of 3,4,5,6-Tetrabromo-o-xylene
Property Insights of 3,4,5,6-Tetrabromo-o-xylene
The XLogP value of 5.4 indicates that 3,4,5,6-Tetrabromo-o-xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4,5,6-Tetrabromo-o-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetrabromo-o-xylene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5,6-Tetrabromo-o-xylene?
The CAS number of 3,4,5,6-Tetrabromo-o-xylene is 2810-69-7.
What is the molecular formula of 3,4,5,6-Tetrabromo-o-xylene?
The molecular formula of 3,4,5,6-Tetrabromo-o-xylene is C8H6Br4.
What is the molecular weight of 3,4,5,6-Tetrabromo-o-xylene?
The molecular weight of 3,4,5,6-Tetrabromo-o-xylene is 417.72 g/mol.
Where can I buy 3,4,5,6-Tetrabromo-o-xylene?
You can request a quote for 3,4,5,6-Tetrabromo-o-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrabromo-o-xylene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrabromo-o-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.