1-Chloro-4-(2,2-dichloroethenyl)benzene
TL;DR: 1-Chloro-4-(2,2-dichloroethenyl)benzene (CAS 5291-95-2) is a chemical compound with molecular formula C8H5Cl3 and molecular weight 205.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2,2-dichloroethenyl)benzene
Also Known As: Zinc carbonate basic, 1-chloro-4-(2,2-dichloroethenyl)benzene, 4,beta,beta-Trichlorostyrene, beta,beta,4-Trichlorostyrene, 1-chloro-4-(2,2-dichlorovinyl)benzene
| Molecular Formula | C8H5Cl3 |
|---|---|
| Molecular Weight | 205.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.94568 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 5291-95-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(Cl)Cl)Cl |
| InChIKey | XHNKLLVUWOTSGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(2,2-dichloroethenyl)benzene (CAS 5291-95-2), with molecular formula C8H5Cl3 and molecular weight 205.95 g/mol. IUPAC: 1-chloro-4-(2,2-dichloroethenyl)benzene.
Chemical Property Profile of 1-Chloro-4-(2,2-dichloroethenyl)benzene
Property Insights of 1-Chloro-4-(2,2-dichloroethenyl)benzene
The XLogP value of 4.4 indicates that 1-Chloro-4-(2,2-dichloroethenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-4-(2,2-dichloroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(2,2-dichloroethenyl)benzene has 0 hydrogen bond donor(s) and 0 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 1-Chloro-4-(2,2-dichloroethenyl)benzene?
The CAS number of 1-Chloro-4-(2,2-dichloroethenyl)benzene is 5291-95-2.
What is the molecular formula of 1-Chloro-4-(2,2-dichloroethenyl)benzene?
The molecular formula of 1-Chloro-4-(2,2-dichloroethenyl)benzene is C8H5Cl3.
What is the molecular weight of 1-Chloro-4-(2,2-dichloroethenyl)benzene?
The molecular weight of 1-Chloro-4-(2,2-dichloroethenyl)benzene is 205.95 g/mol.
Where can I buy 1-Chloro-4-(2,2-dichloroethenyl)benzene?
You can request a quote for 1-Chloro-4-(2,2-dichloroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(2,2-dichloroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(2,2-dichloroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.