p-Trifluoromethylbenzyl chloride
TL;DR: p-Trifluoromethylbenzyl chloride (CAS 939-99-1) 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)-4-(trifluoromethyl)benzene
Also Known As: 4-(Trifluoromethyl)benzyl chloride, 4-Trifluoromethylbenzyl chloride, 1-(chloromethyl)-4-(trifluoromethyl)benzene, g1r dxfff, p-Trifluoromethylbenzyl chloride
| Molecular Formula | C8H6ClF3 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 3.4 |
| 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 | 136.0 |
Chemical Identifiers
| CAS Number | 939-99-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)C(F)(F)F |
| InChIKey | MCHDHQVROPEJJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Trifluoromethylbenzyl chloride (CAS 939-99-1), with molecular formula C8H6ClF3 and molecular weight 194.01 g/mol. IUPAC: 1-(chloromethyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of p-Trifluoromethylbenzyl chloride
Property Insights of p-Trifluoromethylbenzyl chloride
The XLogP value of 3.4 indicates that p-Trifluoromethylbenzyl 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, p-Trifluoromethylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Trifluoromethylbenzyl 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 p-Trifluoromethylbenzyl chloride?
The CAS number of p-Trifluoromethylbenzyl chloride is 939-99-1.
What is the molecular formula of p-Trifluoromethylbenzyl chloride?
The molecular formula of p-Trifluoromethylbenzyl chloride is C8H6ClF3.
What is the molecular weight of p-Trifluoromethylbenzyl chloride?
The molecular weight of p-Trifluoromethylbenzyl chloride is 194.01 g/mol.
Where can I buy p-Trifluoromethylbenzyl chloride?
You can request a quote for p-Trifluoromethylbenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Trifluoromethylbenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for p-Trifluoromethylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.