Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester
TL;DR: Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester (CAS 2879-60-9) is a chemical compound with molecular formula C8Cl8O2 and molecular weight 407.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2,2,2-trichloroacetate
Also Known As: Pentachlorophenyl trichloroacetate, TCA-O-PCP, Phenol, pentachloro-, trichloroacetate, Trichloroacetic Acid Pentachlorophenyl Ester, C8Cl8O2
| Molecular Formula | C8Cl8O2 |
|---|---|
| Molecular Weight | 407.74 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.73474 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 2879-60-9 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | WMUFBMFZOHGUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester (CAS 2879-60-9), with molecular formula C8Cl8O2 and molecular weight 407.74 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2,2,2-trichloroacetate.
Chemical Property Profile of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester
Property Insights of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester
The XLogP value of 6.7 indicates that Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester?
The CAS number of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester is 2879-60-9.
What is the molecular formula of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester?
The molecular formula of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester is C8Cl8O2.
What is the molecular weight of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester?
The molecular weight of Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester is 407.74 g/mol.
Where can I buy Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester?
You can request a quote for Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2,2-trichloro-, 2,3,4,5,6-pentachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.