(1,2,2-Trichloroethyl)benzene
TL;DR: (1,2,2-Trichloroethyl)benzene (CAS 20280-29-9) 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.
1,2,2-trichloroethylbenzene
Also Known As: (1,2,2-trichloroethyl)benzene, 1,2,2-trichloroethylbenzene, 1,2,2-trichloro-ethyl-benzene, Benzene,(1,2,2-trichloroethyl)-, 1,2,2-trichloro-1-phenylethane
| Molecular Formula | C8H7Cl3 |
|---|---|
| Molecular Weight | 207.96 g/mol |
| LogP | 3.7 |
| 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 | 108.0 |
Chemical Identifiers
| CAS Number | 20280-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(Cl)Cl)Cl |
| InChIKey | IIFUYAJFOYKHRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,2,2-Trichloroethyl)benzene (CAS 20280-29-9), with molecular formula C8H7Cl3 and molecular weight 207.96 g/mol. IUPAC: 1,2,2-trichloroethylbenzene.
Chemical Property Profile of (1,2,2-Trichloroethyl)benzene
Property Insights of (1,2,2-Trichloroethyl)benzene
The XLogP value of 3.7 indicates that (1,2,2-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, (1,2,2-Trichloroethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,2-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 (1,2,2-Trichloroethyl)benzene?
The CAS number of (1,2,2-Trichloroethyl)benzene is 20280-29-9.
What is the molecular formula of (1,2,2-Trichloroethyl)benzene?
The molecular formula of (1,2,2-Trichloroethyl)benzene is C8H7Cl3.
What is the molecular weight of (1,2,2-Trichloroethyl)benzene?
The molecular weight of (1,2,2-Trichloroethyl)benzene is 207.96 g/mol.
Where can I buy (1,2,2-Trichloroethyl)benzene?
You can request a quote for (1,2,2-Trichloroethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,2-Trichloroethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,2,2-Trichloroethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.