1-(Trichloromethyl)-2-(trifluoromethyl)benzene
TL;DR: 1-(Trichloromethyl)-2-(trifluoromethyl)benzene (CAS 651-36-5) is a chemical compound with molecular formula C8H4Cl3F3 and molecular weight 261.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(trichloromethyl)-2-(trifluoromethyl)benzene
Also Known As: 1-(Trichloromethyl)-2-(trifluoromethyl)benzene, starbld0036184, Benzene,1-(trichloromethyl)-2-(trifluoromethyl)-, 211-481-3, EINECS 211-481-3
| Molecular Formula | C8H4Cl3F3 |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.93307 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 651-36-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)C(Cl)(Cl)Cl |
| InChIKey | VDEUYVGUNSJXAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Trichloromethyl)-2-(trifluoromethyl)benzene (CAS 651-36-5), with molecular formula C8H4Cl3F3 and molecular weight 261.93 g/mol. IUPAC: 1-(trichloromethyl)-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene
Property Insights of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene
The XLogP value of 4.4 indicates that 1-(Trichloromethyl)-2-(trifluoromethyl)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-(Trichloromethyl)-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trichloromethyl)-2-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 3 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-(Trichloromethyl)-2-(trifluoromethyl)benzene?
The CAS number of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene is 651-36-5.
What is the molecular formula of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene?
The molecular formula of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene is C8H4Cl3F3.
What is the molecular weight of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene?
The molecular weight of 1-(Trichloromethyl)-2-(trifluoromethyl)benzene is 261.93 g/mol.
Where can I buy 1-(Trichloromethyl)-2-(trifluoromethyl)benzene?
You can request a quote for 1-(Trichloromethyl)-2-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Trichloromethyl)-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trichloromethyl)-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.