2-Bromo-3'-chloroacetophenone
TL;DR: 2-Bromo-3'-chloroacetophenone (CAS 41011-01-2) is a chemical compound with molecular formula C8H6BrClO and molecular weight 231.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(3-chlorophenyl)ethanone
Also Known As: 2-Bromo-1-(3-chlorophenyl)ethanone, 3-Chlorophenacyl bromide, 2-BROMO-3'-CHLOROACETOPHENONE, m-Chlorophenacyl bromide, 2-bromo-1-(3-chlorophenyl)ethan-1-one
| Molecular Formula | C8H6BrClO |
|---|---|
| Molecular Weight | 231.93 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.92906 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| Melting Point | 39.5-40 °C |
| Solubility | SOL IN ALCOHOL |
Chemical Identifiers
| CAS Number | 41011-01-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)CBr |
| InChIKey | KJVRURZDIOVSSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3'-chloroacetophenone (CAS 41011-01-2), with molecular formula C8H6BrClO and molecular weight 231.93 g/mol. IUPAC: 2-bromo-1-(3-chlorophenyl)ethanone.
Chemical Property Profile of 2-Bromo-3'-chloroacetophenone
Property Insights of 2-Bromo-3'-chloroacetophenone
The XLogP value of 3.3 indicates that 2-Bromo-3'-chloroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromo-3'-chloroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3'-chloroacetophenone 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-3'-chloroacetophenone?
The CAS number of 2-Bromo-3'-chloroacetophenone is 41011-01-2.
What is the molecular formula of 2-Bromo-3'-chloroacetophenone?
The molecular formula of 2-Bromo-3'-chloroacetophenone is C8H6BrClO.
What is the molecular weight of 2-Bromo-3'-chloroacetophenone?
The molecular weight of 2-Bromo-3'-chloroacetophenone is 231.93 g/mol.
Where can I buy 2-Bromo-3'-chloroacetophenone?
You can request a quote for 2-Bromo-3'-chloroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3'-chloroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3'-chloroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.