3,4-Dichloroethylbenzene
TL;DR: 3,4-Dichloroethylbenzene (CAS 74086-89-8) is a chemical compound with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-ethylbenzene
Also Known As: 1,2-Dichloro-4-ethylbenzene, 3,4-Dichloroethylbenzene, Benzene, 1,2-dichloro-4-ethyl-, Benzene,2-dichloro-4-ethyl, 1,2-Dichlor-4-athyl-benzol
| Molecular Formula | C8H8Cl2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0003 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 74086-89-8 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | LAGWZWJDSQHXQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichloroethylbenzene (CAS 74086-89-8), with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol. IUPAC: 1,2-dichloro-4-ethylbenzene.
Chemical Property Profile of 3,4-Dichloroethylbenzene
Property Insights of 3,4-Dichloroethylbenzene
The XLogP value of 4.5 indicates that 3,4-Dichloroethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dichloroethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloroethylbenzene 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 3,4-Dichloroethylbenzene?
The CAS number of 3,4-Dichloroethylbenzene is 74086-89-8.
What is the molecular formula of 3,4-Dichloroethylbenzene?
The molecular formula of 3,4-Dichloroethylbenzene is C8H8Cl2.
What is the molecular weight of 3,4-Dichloroethylbenzene?
The molecular weight of 3,4-Dichloroethylbenzene is 174.00 g/mol.
Where can I buy 3,4-Dichloroethylbenzene?
You can request a quote for 3,4-Dichloroethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloroethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloroethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.