P-Chloroacetophenone
TL;DR: P-Chloroacetophenone (CAS 99-91-2) is a chemical compound with molecular formula C8H7ClO and molecular weight 154.01854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)ethanone
Also Known As: 4'-Chloroacetophenone, 4-Chloroacetophenone, 1-(4-Chlorophenyl)ethanone, P-CHLOROACETOPHENONE, 4-Acetylchlorobenzene
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO |
| Molecular Weight | 154.01854 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.01854 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Melting Point | 20-21 °C |
| Boiling Point | 237 °C |
| Density | 1.1922 @ 20 °C/4 °C |
| Vapor Pressure | 0.12 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5550 @ 20 °C/D |
| Solubility | PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALC, ETHER |
| SMILES | CC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
Product Description
Applications: P-Chloroacetophenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
P-Chloroacetophenone (CAS 99-91-2) is a heterocyclic building block with the molecular formula C8H7ClO and a molecular weight of 154.02 g/mol. Key physical properties include a density of 1.1922 @ 20 °C/4 °C g/cm³, a solubility: PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALC, ETHER. Synonyms include 4'-Chloroacetophenone and 4-Chloroacetophenone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of P-Chloroacetophenone
Property Insights of P-Chloroacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P-Chloroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, P-Chloroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P-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
What is the CAS number of P-Chloroacetophenone?
The CAS number of P-Chloroacetophenone is 99-91-2.
What is the molecular formula of P-Chloroacetophenone?
The molecular formula of P-Chloroacetophenone is C8H7ClO.
What is the molecular weight of P-Chloroacetophenone?
The molecular weight of P-Chloroacetophenone is 154.01854 g/mol.
What are the applications of P-Chloroacetophenone?
P-Chloroacetophenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy P-Chloroacetophenone?
You can request a quote for P-Chloroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for P-Chloroacetophenone?
Yes, CoreyChem provides custom synthesis services for P-Chloroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.