氯乙酸酐
TL;DR: 氯乙酸酐 (CAS 541-88-8) is a chemical compound with molecular formula C4H4Cl2O3 and molecular weight 169.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙酸酐
(2-chloroacetyl) 2-chloroacetate
Also Known As: Chloroacetic anhydride, Chloroacetyl anhydride, 2-Chloroacetic anhydride, CHLORACETIC ANHYDRIDE, Monochloroacetic acid anhydride
| Molecular Formula | C4H4Cl2O3 |
|---|---|
| Molecular Weight | 169.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.95375 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
| Melting Point | 46 °C |
| Boiling Point | 203 °C @ 760 mm Hg |
| Density | 1.5494 @ 20 °C |
| Solubility | Freely sol in ether, chloroform; slightly sol in benzene; practically insol in cold petroleum ether |
| Vapor Pressure | 0.03 [mmHg] |
Chemical Identifiers
| CAS Number | 541-88-8 |
|---|---|
| SMILES | C(C(=O)OC(=O)CCl)Cl |
| InChIKey | PNVPNXKRAUBJGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯乙酸酐 (CAS 541-88-8), with molecular formula C4H4Cl2O3 and molecular weight 169.95 g/mol. IUPAC: (2-chloroacetyl) 2-chloroacetate.
Chemical Property Profile of 氯乙酸酐
Property Insights of 氯乙酸酐
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯乙酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 氯乙酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯乙酸酐 has 0 hydrogen bond donor(s) and 3 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 氯乙酸酐?
The CAS number of 氯乙酸酐 is 541-88-8.
What is the molecular formula of 氯乙酸酐?
The molecular formula of 氯乙酸酐 is C4H4Cl2O3.
What is the molecular weight of 氯乙酸酐?
The molecular weight of 氯乙酸酐 is 169.95 g/mol.
Where can I buy 氯乙酸酐?
You can request a quote for 氯乙酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙酸酐?
Yes, KEHONG BIO provides custom synthesis services for 氯乙酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.