Benzene, 1-chloro-3-(trichloroethenyl)-
TL;DR: Benzene, 1-chloro-3-(trichloroethenyl)- (CAS 704-21-2) is a chemical compound with molecular formula C8H4Cl4 and molecular weight 239.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(1,2,2-trichloroethenyl)benzene
Also Known As: 1-Chloro-3- benzene, Benzene, 1-chloro-3-(trichloroethenyl)-, 1-Chloro-3-(trichlorovinyl)benzene, 1-chloro-3-(1,2,2-trichloroethenyl)benzene, 1-Chloro-3-(1,2,2-trichlorovinyl)benzene #
| Molecular Formula | C8H4Cl4 |
|---|---|
| Molecular Weight | 239.91 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.90671 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 704-21-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=C(Cl)Cl)Cl |
| InChIKey | QVLISUPAGLXVBK-UHFFFAOYSA-N |
Product Overview
Benzene, 1-chloro-3-(trichloroethenyl)- (CAS 704-21-2), with molecular formula C8H4Cl4 and molecular weight 239.91 g/mol. IUPAC: 1-chloro-3-(1,2,2-trichloroethenyl)benzene.
Chemical Property Profile of Benzene, 1-chloro-3-(trichloroethenyl)-
Property Insights of Benzene, 1-chloro-3-(trichloroethenyl)-
The XLogP value of 4.9 indicates that Benzene, 1-chloro-3-(trichloroethenyl)- 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-chloro-3-(trichloroethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-3-(trichloroethenyl)- 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-chloro-3-(trichloroethenyl)-?
The CAS number of Benzene, 1-chloro-3-(trichloroethenyl)- is 704-21-2.
What is the molecular formula of Benzene, 1-chloro-3-(trichloroethenyl)-?
The molecular formula of Benzene, 1-chloro-3-(trichloroethenyl)- is C8H4Cl4.
What is the molecular weight of Benzene, 1-chloro-3-(trichloroethenyl)-?
The molecular weight of Benzene, 1-chloro-3-(trichloroethenyl)- is 239.91 g/mol.
Where can I buy Benzene, 1-chloro-3-(trichloroethenyl)-?
You can request a quote for Benzene, 1-chloro-3-(trichloroethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-3-(trichloroethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-3-(trichloroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.