(2,2,2-Trichloroethyl)benzene
TL;DR: (2,2,2-Trichloroethyl)benzene (CAS 54965-19-4) 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.
2,2,2-trichloroethylbenzene
Also Known As: (2,2,2-Trichloroethyl)benzene, Trichloroethylbenzene, p-Tolyl-bromacetat, phenyltrichloroethane, 2,2,2-trichloroethylbenzene
| Molecular Formula | C8H7Cl3 |
|---|---|
| Molecular Weight | 207.96 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.96133 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 54965-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(Cl)(Cl)Cl |
| InChIKey | XFEKIQFBJSDMQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2,2-Trichloroethyl)benzene (CAS 54965-19-4), with molecular formula C8H7Cl3 and molecular weight 207.96 g/mol. IUPAC: 2,2,2-trichloroethylbenzene.
Chemical Property Profile of (2,2,2-Trichloroethyl)benzene
Property Insights of (2,2,2-Trichloroethyl)benzene
The XLogP value of 4.1 indicates that (2,2,2-Trichloroethyl)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, (2,2,2-Trichloroethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,2-Trichloroethyl)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 (2,2,2-Trichloroethyl)benzene?
The CAS number of (2,2,2-Trichloroethyl)benzene is 54965-19-4.
What is the molecular formula of (2,2,2-Trichloroethyl)benzene?
The molecular formula of (2,2,2-Trichloroethyl)benzene is C8H7Cl3.
What is the molecular weight of (2,2,2-Trichloroethyl)benzene?
The molecular weight of (2,2,2-Trichloroethyl)benzene is 207.96 g/mol.
Where can I buy (2,2,2-Trichloroethyl)benzene?
You can request a quote for (2,2,2-Trichloroethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2,2-Trichloroethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2,2,2-Trichloroethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.