2,6-Dichlorobenzotrifluoride
TL;DR: 2,6-Dichlorobenzotrifluoride (CAS 104359-35-5) is a chemical compound with molecular formula C7H3Cl2F3 and molecular weight 213.95639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloro-2-(trifluoromethyl)benzene
Also Known As: 2,6-Dichlorobenzotrifluoride, 1,3-dichloro-2-(trifluoromethyl)benzene, 2,6-Dichloro-Benzotrifluoride, 2,6-Dichloro benzotrifluoride, WT101
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl2F3 |
| Molecular Weight | 213.95639 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.95639 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(F)(F)F)Cl |
| InChIKey | MKSYCGMWKMMQPN-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dichlorobenzotrifluoride
Property Insights of 2,6-Dichlorobenzotrifluoride
The XLogP value of 4.1 indicates that 2,6-Dichlorobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,6-Dichlorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichlorobenzotrifluoride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dichlorobenzotrifluoride?
The CAS number of 2,6-Dichlorobenzotrifluoride is 104359-35-5.
What is the molecular formula of 2,6-Dichlorobenzotrifluoride?
The molecular formula of 2,6-Dichlorobenzotrifluoride is C7H3Cl2F3.
What is the molecular weight of 2,6-Dichlorobenzotrifluoride?
The molecular weight of 2,6-Dichlorobenzotrifluoride is 213.95639 g/mol.
Where can I buy 2,6-Dichlorobenzotrifluoride?
You can request a quote for 2,6-Dichlorobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dichlorobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 2,6-Dichlorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.