Benzene, (1,1-dichloroethyl)-
TL;DR: Benzene, (1,1-dichloroethyl)- (CAS 3141-41-1) 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.
1,1-dichloroethylbenzene
Also Known As: dichlorophenylethane, (1,1-Dichloroethyl)benzene, 1,1-dichloroethylbenzene, Benzene, (1,1-dichloroethyl)-, Flunarizine impurity 45
| Molecular Formula | C8H8Cl2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 3.4 |
| 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 | 104.0 |
Chemical Identifiers
| CAS Number | 3141-41-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(Cl)Cl |
| InChIKey | YCWQUKYGSPNNCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1,1-dichloroethyl)- (CAS 3141-41-1), with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol. IUPAC: 1,1-dichloroethylbenzene.
Chemical Property Profile of Benzene, (1,1-dichloroethyl)-
Property Insights of Benzene, (1,1-dichloroethyl)-
The XLogP value of 3.4 indicates that Benzene, (1,1-dichloroethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1,1-dichloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1,1-dichloroethyl)- 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 Benzene, (1,1-dichloroethyl)-?
The CAS number of Benzene, (1,1-dichloroethyl)- is 3141-41-1.
What is the molecular formula of Benzene, (1,1-dichloroethyl)-?
The molecular formula of Benzene, (1,1-dichloroethyl)- is C8H8Cl2.
What is the molecular weight of Benzene, (1,1-dichloroethyl)-?
The molecular weight of Benzene, (1,1-dichloroethyl)- is 174.00 g/mol.
Where can I buy Benzene, (1,1-dichloroethyl)-?
You can request a quote for Benzene, (1,1-dichloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1,1-dichloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1,1-dichloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.