4-Chloro-2-(trifluoromethyl)benzoic acid
TL;DR: 4-Chloro-2-(trifluoromethyl)benzoic acid (CAS 142994-09-0) 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.
4-chloro-2-(trifluoromethyl)benzoic acid
Also Known As: 4-Chloro-2-(trifluoromethyl)benzoic acid, Intermediates-ZCF02089, Benzoic acid, 4-chloro-2-(trifluoromethyl)-, 4-chloro-2-trifluoromethylbenzoic acid, 4-Chloro-2-(trifluoromethyl)benzoicacid
Technical Specifications
| Molecular Formula | C8H4ClF3O2 |
| Molecular Weight | 223.9852 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.9852 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)C(=O)O |
| InChIKey | RKZXXMAQKMOZLK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-(trifluoromethyl)benzoic acid
Property Insights of 4-Chloro-2-(trifluoromethyl)benzoic acid
The XLogP value of 3.0 indicates that 4-Chloro-2-(trifluoromethyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-2-(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(trifluoromethyl)benzoic acid has 1 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 4-Chloro-2-(trifluoromethyl)benzoic acid?
The CAS number of 4-Chloro-2-(trifluoromethyl)benzoic acid is 142994-09-0.
What is the molecular formula of 4-Chloro-2-(trifluoromethyl)benzoic acid?
The molecular formula of 4-Chloro-2-(trifluoromethyl)benzoic acid is C8H4ClF3O2.
What is the molecular weight of 4-Chloro-2-(trifluoromethyl)benzoic acid?
The molecular weight of 4-Chloro-2-(trifluoromethyl)benzoic acid is 223.9852 g/mol.
Where can I buy 4-Chloro-2-(trifluoromethyl)benzoic acid?
You can request a quote for 4-Chloro-2-(trifluoromethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-(trifluoromethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.