1-(Trichloromethyl)-4-(trifluoromethyl)benzene
TL;DR: 1-(Trichloromethyl)-4-(trifluoromethyl)benzene (CAS 13947-96-1) 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)-4-(trifluoromethyl)benzene
Also Known As: 1-(Trichloromethyl)-4-(trifluoromethyl)benzene, 1-trichloromethyl-4-trifluoromethylbenzene, 4-(TRICHLOROMETHYL)BENZOTRIFLUORIDE, 4-(Trichloromethyl)-(trifluoromethyl)benzene, Benzene,1-(trichloromethyl)-4-(trifluoromethyl)-
| Molecular Formula | C8H4Cl3F3 |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 3.9 |
| 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 | 189.0 |
Chemical Identifiers
| CAS Number | 13947-96-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)C(Cl)(Cl)Cl |
| InChIKey | NTFZDVDWIVFEEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Trichloromethyl)-4-(trifluoromethyl)benzene (CAS 13947-96-1), with molecular formula C8H4Cl3F3 and molecular weight 261.93 g/mol. IUPAC: 1-(trichloromethyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene
Property Insights of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene
The XLogP value of 3.9 indicates that 1-(Trichloromethyl)-4-(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)-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trichloromethyl)-4-(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)-4-(trifluoromethyl)benzene?
The CAS number of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene is 13947-96-1.
What is the molecular formula of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene?
The molecular formula of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene is C8H4Cl3F3.
What is the molecular weight of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene?
The molecular weight of 1-(Trichloromethyl)-4-(trifluoromethyl)benzene is 261.93 g/mol.
Where can I buy 1-(Trichloromethyl)-4-(trifluoromethyl)benzene?
You can request a quote for 1-(Trichloromethyl)-4-(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)-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trichloromethyl)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.