氯丙酮
TL;DR: 氯丙酮 (CAS 78-95-5) is a chemical compound with molecular formula C3H5ClO and molecular weight 92.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯丙酮
1-chloropropan-2-one
Also Known As: Chloroacetone, 1-Chloropropan-2-one, Chloropropanone, 1-Chloroacetone, Monochloroacetone
| Molecular Formula | C3H5ClO |
|---|---|
| Molecular Weight | 92.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 92.00289 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | -44.5 °C |
| Boiling Point | 120.0 °C (120 ° C) |
| Density | 1.15 g/cu cm at 20 °C |
| Solubility | Miscible with alcohol, ether and chloroform. Soluble in 10 parts water (wet weight) |
| Flash Point | 27.8 °C |
| Vapor Pressure | 12.0 [mmHg] |
Chemical Identifiers
| CAS Number | 78-95-5 |
|---|---|
| SMILES | CC(=O)CCl |
| InChIKey | BULLHNJGPPOUOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯丙酮 (CAS 78-95-5), with molecular formula C3H5ClO and molecular weight 92.00 g/mol. IUPAC: 1-chloropropan-2-one.
Chemical Property Profile of 氯丙酮
Property Insights of 氯丙酮
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 氯丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯丙酮 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 氯丙酮?
The CAS number of 氯丙酮 is 78-95-5.
What is the molecular formula of 氯丙酮?
The molecular formula of 氯丙酮 is C3H5ClO.
What is the molecular weight of 氯丙酮?
The molecular weight of 氯丙酮 is 92.00 g/mol.
Where can I buy 氯丙酮?
You can request a quote for 氯丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯丙酮?
Yes, KEHONG BIO provides custom synthesis services for 氯丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.