1-Iodo-3,5-dimethylbenzene
TL;DR: 1-Iodo-3,5-dimethylbenzene (CAS 140924-23-8) is a chemical compound with molecular formula C8H9I and molecular weight 231.9749 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-iodo-3,5-dimethylbenzene
Also Known As: 1-Iodo-3,5-dimethylbenzene, 5-Iodo-m-xylene, 1,3-dimethyl-5-iodobenzene, 3,5-Dimethyliodobenzene, Benzene, 1-iodo-3,5-dimethyl-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9I |
| Molecular Weight | 231.9749 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.9749 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| SMILES | CC1=CC(=CC(=C1)I)C |
| InChIKey | ZLMKEENUYIUKKC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Iodo-3,5-dimethylbenzene
Property Insights of 1-Iodo-3,5-dimethylbenzene
The XLogP value of 3.7 indicates that 1-Iodo-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-Iodo-3,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-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-Iodo-3,5-dimethylbenzene?
The CAS number of 1-Iodo-3,5-dimethylbenzene is 140924-23-8.
What is the molecular formula of 1-Iodo-3,5-dimethylbenzene?
The molecular formula of 1-Iodo-3,5-dimethylbenzene is C8H9I.
What is the molecular weight of 1-Iodo-3,5-dimethylbenzene?
The molecular weight of 1-Iodo-3,5-dimethylbenzene is 231.9749 g/mol.
Where can I buy 1-Iodo-3,5-dimethylbenzene?
You can request a quote for 1-Iodo-3,5-dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Iodo-3,5-dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Iodo-3,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.