Chloroacetone
TL;DR: Chloroacetone (CAS 78-95-5) is a chemical compound with molecular formula C3H5ClO and molecular weight 92.00289 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloropropan-2-one
Also Known As: Chloroacetone, 1-Chloropropan-2-one, Chloropropanone, 1-Chloroacetone, Monochloroacetone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5ClO |
| Molecular Weight | 92.00289 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 92.00289 Da |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | -44.5 °C |
| Boiling Point | 248 °F (120 ° C) |
| Density | 1.15 g/cu cm at 20 °C |
| Flash Point | 82 °F |
| Vapor Pressure | 12.0 [mmHg] |
| Solubility | Miscible with alcohol, ether and chloroform. Soluble in 10 parts water (wet weight) |
| SMILES | CC(=O)CCl |
| InChIKey | BULLHNJGPPOUOX-UHFFFAOYSA-N |
Product Description
Applications: Chloroacetone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
A heterocyclic building block supplied by CoreyChem, Chloroacetone (CAS 78-95-5) has the molecular formula C3H5ClO and a molecular weight of 92 g/mol. Reported properties include a density of 1.15 g/cu cm at 20 °C g/cm³, a solubility: Miscible with alcohol, ether and chloroform. Soluble in 10 parts water (wet weight). Synonyms include Chloroacetone and 1-Chloropropan-2-one.
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 Chloroacetone
Property Insights of Chloroacetone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroacetone. With a topological polar surface area (TPSA) of 17.1 Ų, Chloroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetone 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 Chloroacetone?
The CAS number of Chloroacetone is 78-95-5.
What is the molecular formula of Chloroacetone?
The molecular formula of Chloroacetone is C3H5ClO.
What is the molecular weight of Chloroacetone?
The molecular weight of Chloroacetone is 92.00289 g/mol.
What are the applications of Chloroacetone?
Chloroacetone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Chloroacetone?
You can request a quote for Chloroacetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloroacetone?
Yes, CoreyChem provides custom synthesis services for Chloroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.