3-(Trifluoromethyl)benzyl chloride
TL;DR: 3-(Trifluoromethyl)benzyl chloride (CAS 705-29-3) is a chemical compound with molecular formula C8H6ClF3 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-3-(trifluoromethyl)benzene
Also Known As: 3-(Trifluoromethyl)benzyl chloride, 1-(Chloromethyl)-3-(trifluoromethyl)benzene, 3-Trifluoromethylbenzyl chloride, g1r cxfff, 3-(Chloromethyl)benzotrifluoride
| Molecular Formula | C8H6ClF3 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.01102 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 705-29-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCl |
| InChIKey | XGASTRVQNVVYIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)benzyl chloride (CAS 705-29-3), with molecular formula C8H6ClF3 and molecular weight 194.01 g/mol. IUPAC: 1-(chloromethyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of 3-(Trifluoromethyl)benzyl chloride
Property Insights of 3-(Trifluoromethyl)benzyl chloride
The XLogP value of 3.5 indicates that 3-(Trifluoromethyl)benzyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-(Trifluoromethyl)benzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)benzyl chloride 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 3-(Trifluoromethyl)benzyl chloride?
The CAS number of 3-(Trifluoromethyl)benzyl chloride is 705-29-3.
What is the molecular formula of 3-(Trifluoromethyl)benzyl chloride?
The molecular formula of 3-(Trifluoromethyl)benzyl chloride is C8H6ClF3.
What is the molecular weight of 3-(Trifluoromethyl)benzyl chloride?
The molecular weight of 3-(Trifluoromethyl)benzyl chloride is 194.01 g/mol.
Where can I buy 3-(Trifluoromethyl)benzyl chloride?
You can request a quote for 3-(Trifluoromethyl)benzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)benzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)benzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.