2-Chloro-5-(trifluoromethyl)phenacyl bromide
TL;DR: 2-Chloro-5-(trifluoromethyl)phenacyl bromide (CAS 79779-64-9) is a chemical compound with molecular formula C9H5BrClF3O and molecular weight 299.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
Also Known As: 2-Chloro-5-(trifluoromethyl)phenacyl bromide, 2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone, 2-bromo-1-(2-chloro-5-(trifluoromethyl)phenyl)ethanone, 2-Bromo-2'-chloro-5'-(trifluoromethyl)acetophenone, 2-Chloro-5-(trifluoromethyl)phenacyl bromide, 97%
| Molecular Formula | C9H5BrClF3O |
|---|---|
| Molecular Weight | 299.92 g/mol |
| LogP | 3.9364 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.91644 |
| Heavy Atoms | 15 |
| Complexity | 389.4341 |
Chemical Identifiers
| CAS Number | 79779-64-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(=O)CBr)Cl |
Product Overview
2-Chloro-5-(trifluoromethyl)phenacyl bromide (CAS 79779-64-9), with molecular formula C9H5BrClF3O and molecular weight 299.92 g/mol. IUPAC: 2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 2-Chloro-5-(trifluoromethyl)phenacyl bromide
Property Insights of 2-Chloro-5-(trifluoromethyl)phenacyl bromide
The XLogP value of 3.9364 indicates that 2-Chloro-5-(trifluoromethyl)phenacyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Chloro-5-(trifluoromethyl)phenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(trifluoromethyl)phenacyl 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-Chloro-5-(trifluoromethyl)phenacyl bromide?
The CAS number of 2-Chloro-5-(trifluoromethyl)phenacyl bromide is 79779-64-9.
What is the molecular formula of 2-Chloro-5-(trifluoromethyl)phenacyl bromide?
The molecular formula of 2-Chloro-5-(trifluoromethyl)phenacyl bromide is C9H5BrClF3O.
What is the molecular weight of 2-Chloro-5-(trifluoromethyl)phenacyl bromide?
The molecular weight of 2-Chloro-5-(trifluoromethyl)phenacyl bromide is 299.92 g/mol.
Where can I buy 2-Chloro-5-(trifluoromethyl)phenacyl bromide?
You can request a quote for 2-Chloro-5-(trifluoromethyl)phenacyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(trifluoromethyl)phenacyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(trifluoromethyl)phenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.