2-Chloroethyl 4-(trichloromethyl)benzoate
TL;DR: 2-Chloroethyl 4-(trichloromethyl)benzoate (CAS 63980-12-1) is a chemical compound with molecular formula C10H8Cl4O2 and molecular weight 299.92783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl 4-(trichloromethyl)benzoate
Also Known As: 2-chloroethyl 4-(trichloromethyl)benzoate, 4-09-00-01744 (Beilstein Handbook Reference), Benzoic acid, 4-(trichloromethyl)-, 2-chloroethyl ester, alpha,alpha,alpha-Trichloro-p-toluic acid 2-chloroethyl ester, 4-(Trichloromethyl)benzoic acid 2-chloroethyl ester
Technical Specifications
| Molecular Formula | C10H8Cl4O2 |
| Molecular Weight | 299.92783 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.9249 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | C1=CC(=CC=C1C(=O)OCCCl)C(Cl)(Cl)Cl |
| InChIKey | FYQVQCVGCOEMQQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloroethyl 4-(trichloromethyl)benzoate
Property Insights of 2-Chloroethyl 4-(trichloromethyl)benzoate
The XLogP value of 4.3 indicates that 2-Chloroethyl 4-(trichloromethyl)benzoate 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-Chloroethyl 4-(trichloromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 4-(trichloromethyl)benzoate has 0 hydrogen bond donor(s) and 2 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-Chloroethyl 4-(trichloromethyl)benzoate?
The CAS number of 2-Chloroethyl 4-(trichloromethyl)benzoate is 63980-12-1.
What is the molecular formula of 2-Chloroethyl 4-(trichloromethyl)benzoate?
The molecular formula of 2-Chloroethyl 4-(trichloromethyl)benzoate is C10H8Cl4O2.
What is the molecular weight of 2-Chloroethyl 4-(trichloromethyl)benzoate?
The molecular weight of 2-Chloroethyl 4-(trichloromethyl)benzoate is 299.92783 g/mol.
Where can I buy 2-Chloroethyl 4-(trichloromethyl)benzoate?
You can request a quote for 2-Chloroethyl 4-(trichloromethyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloroethyl 4-(trichloromethyl)benzoate?
Yes, CoreyChem provides custom synthesis services for 2-Chloroethyl 4-(trichloromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.