2-(Trifluoromethoxy)benzoyl Chloride
TL;DR: 2-(Trifluoromethoxy)benzoyl Chloride (CAS 116827-40-8) is a chemical compound with molecular formula C8H4ClF3O2 and molecular weight 223.9852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(trifluoromethoxy)benzoyl chloride
Also Known As: 2-(Trifluoromethoxy)benzoyl Chloride, Benzoyl chloride, 2-(trifluoromethoxy)-, o-trifluoromethoxybenzoyl chloride, 2-Trifluoromethoxybenzoyl chloride, Trifluoromethoxybenzoyl chloride
Technical Specifications
| Molecular Formula | C8H4ClF3O2 |
| Molecular Weight | 223.9852 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.9852 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)OC(F)(F)F |
| InChIKey | KSHPWYXAJJCUMJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Trifluoromethoxy)benzoyl Chloride
Property Insights of 2-(Trifluoromethoxy)benzoyl Chloride
The XLogP value of 3.8 indicates that 2-(Trifluoromethoxy)benzoyl Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Trifluoromethoxy)benzoyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethoxy)benzoyl Chloride has 0 hydrogen bond donor(s) and 5 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-(Trifluoromethoxy)benzoyl Chloride?
The CAS number of 2-(Trifluoromethoxy)benzoyl Chloride is 116827-40-8.
What is the molecular formula of 2-(Trifluoromethoxy)benzoyl Chloride?
The molecular formula of 2-(Trifluoromethoxy)benzoyl Chloride is C8H4ClF3O2.
What is the molecular weight of 2-(Trifluoromethoxy)benzoyl Chloride?
The molecular weight of 2-(Trifluoromethoxy)benzoyl Chloride is 223.9852 g/mol.
Where can I buy 2-(Trifluoromethoxy)benzoyl Chloride?
You can request a quote for 2-(Trifluoromethoxy)benzoyl Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Trifluoromethoxy)benzoyl Chloride?
Yes, CoreyChem provides custom synthesis services for 2-(Trifluoromethoxy)benzoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.