2,2',4'-三氯苯乙酮
TL;DR: 2,2',4'-三氯苯乙酮 (CAS 4252-78-2) is a chemical compound with molecular formula C8H5Cl3O and molecular weight 221.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2',4'-三氯苯乙酮
2-chloro-1-(2,4-dichlorophenyl)ethanone
Also Known As: 2,2',4'-Trichloroacetophenone, 2,4-Dichlorophenacyl chloride, 2-Chloro-1-(2,4-dichlorophenyl)ethanone, Econazole Impurity 11, alpha,2,4-Trichloroacetophenone
| Molecular Formula | C8H5Cl3O |
|---|---|
| Molecular Weight | 221.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.9406 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| Melting Point | 126 to 55.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
Chemical Identifiers
| CAS Number | 4252-78-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CCl |
| InChIKey | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',4'-三氯苯乙酮 (CAS 4252-78-2), with molecular formula C8H5Cl3O and molecular weight 221.94 g/mol. IUPAC: 2-chloro-1-(2,4-dichlorophenyl)ethanone.
Chemical Property Profile of 2,2',4'-三氯苯乙酮
Property Insights of 2,2',4'-三氯苯乙酮
The XLogP value of 3.5 indicates that 2,2',4'-三氯苯乙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2',4'-三氯苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',4'-三氯苯乙酮 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',4'-三氯苯乙酮?
The CAS number of 2,2',4'-三氯苯乙酮 is 4252-78-2.
What is the molecular formula of 2,2',4'-三氯苯乙酮?
The molecular formula of 2,2',4'-三氯苯乙酮 is C8H5Cl3O.
What is the molecular weight of 2,2',4'-三氯苯乙酮?
The molecular weight of 2,2',4'-三氯苯乙酮 is 221.94 g/mol.
Where can I buy 2,2',4'-三氯苯乙酮?
You can request a quote for 2,2',4'-三氯苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4'-三氯苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4'-三氯苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.