2',3',4'-Trichloroacetophenone
TL;DR: 2',3',4'-Trichloroacetophenone (CAS 13608-87-2) 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.
1-(2,3,4-trichlorophenyl)ethanone
Also Known As: 2',3',4'-TRICHLOROACETOPHENONE, 1-(2,3,4-Trichlorophenyl)ethanone, 2,3,4-Trichloroacetophenone, 1-(2,3,4-trichlorophenyl)ethan-1-one, Ethanone, 1-(2,3,4-trichlorophenyl)-
| 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 | 1 |
| Exact Mass | 221.9406 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| Melting Point | 138 to 63.9 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 13608-87-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl |
| InChIKey | BXJZZJYNVIDEKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',3',4'-Trichloroacetophenone (CAS 13608-87-2), with molecular formula C8H5Cl3O and molecular weight 221.94 g/mol. IUPAC: 1-(2,3,4-trichlorophenyl)ethanone.
Chemical Property Profile of 2',3',4'-Trichloroacetophenone
Property Insights of 2',3',4'-Trichloroacetophenone
The XLogP value of 3.5 indicates that 2',3',4'-Trichloroacetophenone 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',3',4'-Trichloroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',3',4'-Trichloroacetophenone 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',3',4'-Trichloroacetophenone?
The CAS number of 2',3',4'-Trichloroacetophenone is 13608-87-2.
What is the molecular formula of 2',3',4'-Trichloroacetophenone?
The molecular formula of 2',3',4'-Trichloroacetophenone is C8H5Cl3O.
What is the molecular weight of 2',3',4'-Trichloroacetophenone?
The molecular weight of 2',3',4'-Trichloroacetophenone is 221.94 g/mol.
Where can I buy 2',3',4'-Trichloroacetophenone?
You can request a quote for 2',3',4'-Trichloroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3',4'-Trichloroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',3',4'-Trichloroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.