Chloroacetic anhydride
TL;DR: Chloroacetic anhydride (CAS 541-88-8) is a chemical compound with molecular formula C4H4Cl2O3 and molecular weight 169.95375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chloroacetyl) 2-chloroacetate
Also Known As: Chloroacetic anhydride, Chloroacetyl anhydride, 2-Chloroacetic anhydride, CHLORACETIC ANHYDRIDE, Monochloroacetic acid anhydride
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4Cl2O3 |
| Molecular Weight | 169.95375 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.95375 Da |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
| Melting Point | 46 °C |
| Boiling Point | 203 °C @ 760 mm Hg |
| Density | 1.5494 @ 20 °C/4 °C |
| Vapor Pressure | 0.03 [mmHg] |
| Solubility | Freely sol in ether, chloroform; slightly sol in benzene; practically insol in cold petroleum ether |
| SMILES | C(C(=O)OC(=O)CCl)Cl |
| InChIKey | PNVPNXKRAUBJGW-UHFFFAOYSA-N |
Product Description
Applications: Chloroacetic anhydride 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).
Chloroacetic anhydride is a heterocyclic building block identified by CAS number 541-88-8 and the molecular formula C4H4Cl2O3 and a molecular weight of 169.95 g/mol. Physically, the compound has a density of 1.5494 @ 20 °C/4 °C g/cm³, a solubility: Freely sol in ether, chloroform; slightly sol in benzene; practically insol in cold petroleum ether. Synonyms include Chloroacetic anhydride and Chloroacetyl anhydride.
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 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
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 169.95375 g/mol.
What are the applications of Chloroacetic anhydride?
Chloroacetic anhydride 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 Chloroacetic anhydride?
You can request a quote for Chloroacetic anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloroacetic anhydride?
Yes, CoreyChem provides custom synthesis services for Chloroacetic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.