4'-氯苯乙酮
TL;DR: 4'-氯苯乙酮 (CAS 99-91-2) is a chemical compound with molecular formula C8H7ClO and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-氯苯乙酮
1-(4-chlorophenyl)ethanone
Also Known As: 4'-Chloroacetophenone, 4-Chloroacetophenone, 1-(4-Chlorophenyl)ethanone, P-CHLOROACETOPHENONE, 4-Acetylchlorobenzene
| Molecular Formula | C8H7ClO |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.01854 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Melting Point | 20-21 °C |
| Boiling Point | 237 °C |
| Density | 1.1922 @ 20 °C |
| Solubility | PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALC, ETHER |
| Vapor Pressure | 0.12 [mmHg] |
| Refractive Index | 1.5550 @ 20 °C |
Chemical Identifiers
| CAS Number | 99-91-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-氯苯乙酮 (CAS 99-91-2), with molecular formula C8H7ClO and molecular weight 154.02 g/mol. IUPAC: 1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 4'-氯苯乙酮
Property Insights of 4'-氯苯乙酮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-氯苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-氯苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-氯苯乙酮 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'-氯苯乙酮?
The CAS number of 4'-氯苯乙酮 is 99-91-2.
What is the molecular formula of 4'-氯苯乙酮?
The molecular formula of 4'-氯苯乙酮 is C8H7ClO.
What is the molecular weight of 4'-氯苯乙酮?
The molecular weight of 4'-氯苯乙酮 is 154.02 g/mol.
Where can I buy 4'-氯苯乙酮?
You can request a quote for 4'-氯苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-氯苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 4'-氯苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.