1,4-Dichloro-2-(2-chloroethyl)benzene
TL;DR: 1,4-Dichloro-2-(2-chloroethyl)benzene (CAS 54965-02-5) is a chemical compound with molecular formula C8H7Cl3 and molecular weight 207.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-2-(2-chloroethyl)benzene
Also Known As: 1,4-Dichloro-2-(2-chloroethyl)benzene, 2,5-dichloro-(2-chloroethyl)benzene, Benzene, 1,4-dichloro-2-(2-chloroethyl)-, 1,4-Dichloro-2-(2-chloroethyl )benzene, 1,4-Dichloro-2-(2-chloroethyl)benzene #
| Molecular Formula | C8H7Cl3 |
|---|---|
| Molecular Weight | 207.96 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.96133 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 54965-02-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)CCCl)Cl |
| InChIKey | ZCLRNCLVHYHSFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dichloro-2-(2-chloroethyl)benzene (CAS 54965-02-5), with molecular formula C8H7Cl3 and molecular weight 207.96 g/mol. IUPAC: 1,4-dichloro-2-(2-chloroethyl)benzene.
Chemical Property Profile of 1,4-Dichloro-2-(2-chloroethyl)benzene
Property Insights of 1,4-Dichloro-2-(2-chloroethyl)benzene
The XLogP value of 4.0 indicates that 1,4-Dichloro-2-(2-chloroethyl)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, 1,4-Dichloro-2-(2-chloroethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichloro-2-(2-chloroethyl)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 1,4-Dichloro-2-(2-chloroethyl)benzene?
The CAS number of 1,4-Dichloro-2-(2-chloroethyl)benzene is 54965-02-5.
What is the molecular formula of 1,4-Dichloro-2-(2-chloroethyl)benzene?
The molecular formula of 1,4-Dichloro-2-(2-chloroethyl)benzene is C8H7Cl3.
What is the molecular weight of 1,4-Dichloro-2-(2-chloroethyl)benzene?
The molecular weight of 1,4-Dichloro-2-(2-chloroethyl)benzene is 207.96 g/mol.
Where can I buy 1,4-Dichloro-2-(2-chloroethyl)benzene?
You can request a quote for 1,4-Dichloro-2-(2-chloroethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichloro-2-(2-chloroethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichloro-2-(2-chloroethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.