3-Chloro-2,4,5-trifluorobenzoyl chloride
TL;DR: 3-Chloro-2,4,5-trifluorobenzoyl chloride (CAS 101513-78-4) is a chemical compound with molecular formula C7HCl2F3O and molecular weight 227.93565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2,4,5-trifluorobenzoyl chloride
Also Known As: 3-chloro-2,4,5-trifluorobenzoyl chloride, C7HCl2F3O, Benzoyl chloride, 3-chloro-2,4,5-trifluoro-, 3-chloro-2,4,5-trifluoro-benzoyl Chloride, 3-Chloro-2,4,5-trifluorobenzoylchloride
Technical Specifications
| Molecular Formula | C7HCl2F3O |
| Molecular Weight | 227.93565 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.93565 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | C1=C(C(=C(C(=C1F)F)Cl)F)C(=O)Cl |
| InChIKey | IEDMMCZBIKXEJP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2,4,5-trifluorobenzoyl chloride
Property Insights of 3-Chloro-2,4,5-trifluorobenzoyl chloride
The XLogP value of 3.4 indicates that 3-Chloro-2,4,5-trifluorobenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloro-2,4,5-trifluorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,4,5-trifluorobenzoyl chloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-2,4,5-trifluorobenzoyl chloride?
The CAS number of 3-Chloro-2,4,5-trifluorobenzoyl chloride is 101513-78-4.
What is the molecular formula of 3-Chloro-2,4,5-trifluorobenzoyl chloride?
The molecular formula of 3-Chloro-2,4,5-trifluorobenzoyl chloride is C7HCl2F3O.
What is the molecular weight of 3-Chloro-2,4,5-trifluorobenzoyl chloride?
The molecular weight of 3-Chloro-2,4,5-trifluorobenzoyl chloride is 227.93565 g/mol.
Where can I buy 3-Chloro-2,4,5-trifluorobenzoyl chloride?
You can request a quote for 3-Chloro-2,4,5-trifluorobenzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2,4,5-trifluorobenzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2,4,5-trifluorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.