4-(Trifluoromethoxy)benzyl Chloride
TL;DR: 4-(Trifluoromethoxy)benzyl Chloride (CAS 475481-96-0) is a chemical compound with molecular formula C8H6ClF3O and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-(trifluoromethoxy)benzene
Also Known As: 4-(Trifluoromethoxy)benzyl Chloride, 1-(Chloromethyl)-4-(trifluoromethoxy)benzene, 4-(trifluoromethoxy)benzylchloride, p-trifluoromethoxybenzyl chloride, 4-triflouromethoxybenzyl chloride
| Molecular Formula | C8H6ClF3O |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 3.324 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.00592 |
| Heavy Atoms | 13 |
| Complexity | 267.71277 |
Chemical Identifiers
| CAS Number | 475481-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)OC(F)(F)F |
Product Overview
4-(Trifluoromethoxy)benzyl Chloride (CAS 475481-96-0), with molecular formula C8H6ClF3O and molecular weight 210.01 g/mol. IUPAC: 1-(chloromethyl)-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 4-(Trifluoromethoxy)benzyl Chloride
Property Insights of 4-(Trifluoromethoxy)benzyl Chloride
The XLogP value of 3.324 indicates that 4-(Trifluoromethoxy)benzyl Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 4-(Trifluoromethoxy)benzyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethoxy)benzyl Chloride has 0 hydrogen bond donor(s) and 1 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 4-(Trifluoromethoxy)benzyl Chloride?
The CAS number of 4-(Trifluoromethoxy)benzyl Chloride is 475481-96-0.
What is the molecular formula of 4-(Trifluoromethoxy)benzyl Chloride?
The molecular formula of 4-(Trifluoromethoxy)benzyl Chloride is C8H6ClF3O.
What is the molecular weight of 4-(Trifluoromethoxy)benzyl Chloride?
The molecular weight of 4-(Trifluoromethoxy)benzyl Chloride is 210.01 g/mol.
Where can I buy 4-(Trifluoromethoxy)benzyl Chloride?
You can request a quote for 4-(Trifluoromethoxy)benzyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethoxy)benzyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethoxy)benzyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.