Chloroacetic anhydride
TL;DR: Chloroacetic anhydride (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.
(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
Chloroacetic anhydride (CAS 541-88-8), with molecular formula C4H4Cl2O3 and molecular weight 169.95 g/mol. IUPAC: (2-chloroacetyl) 2-chloroacetate.
Chemical Property Profile of Chloroacetic anhydride
Property Insights of Chloroacetic anhydride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroacetic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, Chloroacetic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetic anhydride 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 Chloroacetic anhydride?
The CAS number of Chloroacetic anhydride is 541-88-8.
What is the molecular formula of Chloroacetic anhydride?
The molecular formula of Chloroacetic anhydride is C4H4Cl2O3.
What is the molecular weight of Chloroacetic anhydride?
The molecular weight of Chloroacetic anhydride is 169.95 g/mol.
Where can I buy Chloroacetic anhydride?
You can request a quote for Chloroacetic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroacetic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Chloroacetic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.