1-(Bromomethyl)-4-(trifluoromethoxy)benzene
TL;DR: 1-(Bromomethyl)-4-(trifluoromethoxy)benzene (CAS 198545-46-9) is a chemical compound with molecular formula C8H6BrF3O and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-(trifluoromethoxy)benzene
Also Known As: 4-(Trifluoromethoxy)benzyl bromide, 1-(bromomethyl)-4-(trifluoromethoxy)benzene, null, 4-Trifluoromethoxybenzyl bromide, 4- BENZYLBROMIDE
| Molecular Formula | C8H6BrF3O |
|---|---|
| Molecular Weight | 253.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.95541 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 198545-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)OC(F)(F)F |
| InChIKey | JDNPUJCKXLOHOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Bromomethyl)-4-(trifluoromethoxy)benzene (CAS 198545-46-9), with molecular formula C8H6BrF3O and molecular weight 253.96 g/mol. IUPAC: 1-(bromomethyl)-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene
Property Insights of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene
The XLogP value of 3.7 indicates that 1-(Bromomethyl)-4-(trifluoromethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Bromomethyl)-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-(trifluoromethoxy)benzene has 0 hydrogen bond donor(s) and 4 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-(Bromomethyl)-4-(trifluoromethoxy)benzene?
The CAS number of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene is 198545-46-9.
What is the molecular formula of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene?
The molecular formula of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene is C8H6BrF3O.
What is the molecular weight of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene?
The molecular weight of 1-(Bromomethyl)-4-(trifluoromethoxy)benzene is 253.96 g/mol.
Where can I buy 1-(Bromomethyl)-4-(trifluoromethoxy)benzene?
You can request a quote for 1-(Bromomethyl)-4-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.