六氯丙酮
TL;DR: 六氯丙酮 (CAS 116-16-5) is a chemical compound with molecular formula C3Cl6O and molecular weight 261.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氯丙酮
1,1,1,3,3,3-hexachloropropan-2-one
Also Known As: HEXACHLOROACETONE, Hexachloropropanone, Perchloroacetone, Hexachloro-2-propanone, HCA weedkiller
| Molecular Formula | C3Cl6O |
|---|---|
| Molecular Weight | 261.81 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.80508 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Melting Point | -2 °C |
| Boiling Point | 202-204 °C |
| Density | 1.444 AT 12 °C/12 °C |
| Solubility | Slightly sol in water; sol in acetone |
| Vapor Pressure | 0.12 [mmHg] |
| Refractive Index | 1.5112 AT 20 °C |
Chemical Identifiers
| CAS Number | 116-16-5 |
|---|---|
| SMILES | C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氯丙酮 (CAS 116-16-5), with molecular formula C3Cl6O and molecular weight 261.81 g/mol. IUPAC: 1,1,1,3,3,3-hexachloropropan-2-one.
Chemical Property Profile of 六氯丙酮
Property Insights of 六氯丙酮
The XLogP value of 3.7 indicates that 六氯丙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 六氯丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氯丙酮 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 六氯丙酮?
The CAS number of 六氯丙酮 is 116-16-5.
What is the molecular formula of 六氯丙酮?
The molecular formula of 六氯丙酮 is C3Cl6O.
What is the molecular weight of 六氯丙酮?
The molecular weight of 六氯丙酮 is 261.81 g/mol.
Where can I buy 六氯丙酮?
You can request a quote for 六氯丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氯丙酮?
Yes, KEHONG BIO provides custom synthesis services for 六氯丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.