1,2-Dibromo-3,5-dimethylbenzene
TL;DR: 1,2-Dibromo-3,5-dimethylbenzene (CAS 116668-61-2) is a chemical compound with molecular formula C8H8Br2 and molecular weight 261.8993 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dibromo-3,5-dimethylbenzene
Also Known As: 4,5-Dibromo-m-xylene, 1,2-dibromo-3,5-dimethylbenzene, H68746
Technical Specifications
| Molecular Formula | C8H8Br2 |
| Molecular Weight | 261.8993 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.89722 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| SMILES | CC1=CC(=C(C(=C1)Br)Br)C |
| InChIKey | SSNMFFLHHLCNOM-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Dibromo-3,5-dimethylbenzene
Property Insights of 1,2-Dibromo-3,5-dimethylbenzene
The XLogP value of 4.0 indicates that 1,2-Dibromo-3,5-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-Dibromo-3,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dibromo-3,5-dimethylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Dibromo-3,5-dimethylbenzene?
The CAS number of 1,2-Dibromo-3,5-dimethylbenzene is 116668-61-2.
What is the molecular formula of 1,2-Dibromo-3,5-dimethylbenzene?
The molecular formula of 1,2-Dibromo-3,5-dimethylbenzene is C8H8Br2.
What is the molecular weight of 1,2-Dibromo-3,5-dimethylbenzene?
The molecular weight of 1,2-Dibromo-3,5-dimethylbenzene is 261.8993 g/mol.
Where can I buy 1,2-Dibromo-3,5-dimethylbenzene?
You can request a quote for 1,2-Dibromo-3,5-dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dibromo-3,5-dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1,2-Dibromo-3,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.