2-Bromo-5-(trifluoromethoxy)benzyl bromide
TL;DR: 2-Bromo-5-(trifluoromethoxy)benzyl bromide (CAS 886763-13-9) is a chemical compound with molecular formula C8H5Br2F3O and molecular weight 331.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-(bromomethyl)-4-(trifluoromethoxy)benzene
Also Known As: 2-Bromo-5-(trifluoromethoxy)benzyl bromide, 1-bromo-2-(bromomethyl)-4-(trifluoromethoxy)benzene, 2-Bromo-5-(trifluoromethoxy)benzyl bromide, 95+%
| Molecular Formula | C8H5Br2F3O |
|---|---|
| Molecular Weight | 331.87 g/mol |
| LogP | 4.2426 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.8659 |
| Heavy Atoms | 14 |
| Complexity | 324.8527 |
Chemical Identifiers
| CAS Number | 886763-13-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)CBr)Br |
Product Overview
2-Bromo-5-(trifluoromethoxy)benzyl bromide (CAS 886763-13-9), with molecular formula C8H5Br2F3O and molecular weight 331.87 g/mol. IUPAC: 1-bromo-2-(bromomethyl)-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 2-Bromo-5-(trifluoromethoxy)benzyl bromide
Property Insights of 2-Bromo-5-(trifluoromethoxy)benzyl bromide
The XLogP value of 4.2426 indicates that 2-Bromo-5-(trifluoromethoxy)benzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Bromo-5-(trifluoromethoxy)benzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-5-(trifluoromethoxy)benzyl bromide 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 2-Bromo-5-(trifluoromethoxy)benzyl bromide?
The CAS number of 2-Bromo-5-(trifluoromethoxy)benzyl bromide is 886763-13-9.
What is the molecular formula of 2-Bromo-5-(trifluoromethoxy)benzyl bromide?
The molecular formula of 2-Bromo-5-(trifluoromethoxy)benzyl bromide is C8H5Br2F3O.
What is the molecular weight of 2-Bromo-5-(trifluoromethoxy)benzyl bromide?
The molecular weight of 2-Bromo-5-(trifluoromethoxy)benzyl bromide is 331.87 g/mol.
Where can I buy 2-Bromo-5-(trifluoromethoxy)benzyl bromide?
You can request a quote for 2-Bromo-5-(trifluoromethoxy)benzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-5-(trifluoromethoxy)benzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5-(trifluoromethoxy)benzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.