1-(Chloromethyl)-2-(trifluoromethyl)benzene
TL;DR: 1-(Chloromethyl)-2-(trifluoromethyl)benzene (CAS 21742-00-7) is a chemical compound with molecular formula C8H6ClF3 and molecular weight 194.01102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-2-(trifluoromethyl)benzene
Also Known As: 2-(Trifluoromethyl)benzyl chloride, 1-(Chloromethyl)-2-(trifluoromethyl)benzene, g1r bxfff, 2- benzylchloride, 2-trifluoromethylbenzyl chloride
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.01102 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.01102 Da |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
| SMILES | C1=CC=C(C(=C1)CCl)C(F)(F)F |
| InChIKey | BBXDMCQDLOCXRA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Chloromethyl)-2-(trifluoromethyl)benzene
Property Insights of 1-(Chloromethyl)-2-(trifluoromethyl)benzene
The XLogP value of 3.2 indicates that 1-(Chloromethyl)-2-(trifluoromethyl)benzene 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-(Chloromethyl)-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-2-(trifluoromethyl)benzene 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 1-(Chloromethyl)-2-(trifluoromethyl)benzene?
The CAS number of 1-(Chloromethyl)-2-(trifluoromethyl)benzene is 21742-00-7.
What is the molecular formula of 1-(Chloromethyl)-2-(trifluoromethyl)benzene?
The molecular formula of 1-(Chloromethyl)-2-(trifluoromethyl)benzene is C8H6ClF3.
What is the molecular weight of 1-(Chloromethyl)-2-(trifluoromethyl)benzene?
The molecular weight of 1-(Chloromethyl)-2-(trifluoromethyl)benzene is 194.01102 g/mol.
Where can I buy 1-(Chloromethyl)-2-(trifluoromethyl)benzene?
You can request a quote for 1-(Chloromethyl)-2-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Chloromethyl)-2-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-(Chloromethyl)-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.