2,2-Dichloroacetophenone
TL;DR: 2,2-Dichloroacetophenone (CAS 2648-61-5) is a chemical compound with molecular formula C8H6Cl2O and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-phenylethanone
Also Known As: 2,2-Dichloroacetophenone, 2,2-Dichloro-1-phenylethanone, Phenacylidene chloride, Ethanone, 2,2-dichloro-1-phenyl-, Dichloroacetophenone
| Molecular Formula | C8H6Cl2O |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.97957 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 2648-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(Cl)Cl |
| InChIKey | CERJZAHSUZVMCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloroacetophenone (CAS 2648-61-5), with molecular formula C8H6Cl2O and molecular weight 187.98 g/mol. IUPAC: 2,2-dichloro-1-phenylethanone.
Chemical Property Profile of 2,2-Dichloroacetophenone
Property Insights of 2,2-Dichloroacetophenone
The XLogP value of 3.0 indicates that 2,2-Dichloroacetophenone 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-Dichloroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroacetophenone 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-Dichloroacetophenone?
The CAS number of 2,2-Dichloroacetophenone is 2648-61-5.
What is the molecular formula of 2,2-Dichloroacetophenone?
The molecular formula of 2,2-Dichloroacetophenone is C8H6Cl2O.
What is the molecular weight of 2,2-Dichloroacetophenone?
The molecular weight of 2,2-Dichloroacetophenone is 187.98 g/mol.
Where can I buy 2,2-Dichloroacetophenone?
You can request a quote for 2,2-Dichloroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.