Dichloroacetic Acid
TL;DR: Dichloroacetic Acid (CAS 79-43-6) is a chemical compound with molecular formula C2H2Cl2O2 and molecular weight 127.943184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloroacetic acid
Also Known As: DICHLOROACETIC ACID, 2,2-Dichloroacetic acid, Dichloracetic acid, Urner's liquid, Bichloracetic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H2Cl2O2 |
| Molecular Weight | 127.943184 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.943184 Da |
| Heavy Atoms | 6 |
| Complexity | 60.0 |
| Melting Point | 49.5 °F (NTP, 1992) |
| Boiling Point | 381 °F at 760 mmHg (NTP, 1992) |
| Density | 1.563 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 235 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 111 °F ; 5 mmHg at 157.6 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4658 at 20 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 59 °F (NTP, 1992) |
| SMILES | C(C(=O)O)(Cl)Cl |
| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
Product Description
Applications: Dichloroacetic Acid 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. CoreyChem supplies Dichloroacetic Acid (CAS 79-43-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dichloroacetic Acid is a heterocyclic building block identified by CAS number 79-43-6 and the molecular formula C2H2Cl2O2 and a molecular weight of 127.94 g/mol. Physically, the compound has a density of 1.563 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 59 °F (NTP, 1992). It is also known as DICHLOROACETIC ACID and 2,2-Dichloroacetic acid.
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 Dichloroacetic Acid
Property Insights of Dichloroacetic Acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Dichloroacetic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dichloroacetic Acid?
The CAS number of Dichloroacetic Acid is 79-43-6.
What is the molecular formula of Dichloroacetic Acid?
The molecular formula of Dichloroacetic Acid is C2H2Cl2O2.
What is the molecular weight of Dichloroacetic Acid?
The molecular weight of Dichloroacetic Acid is 127.943184 g/mol.
What are the applications of Dichloroacetic Acid?
Dichloroacetic Acid 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. CoreyChem supplies Dichloroacetic Acid (CAS 79-43-6)...
Where can I buy Dichloroacetic Acid?
You can request a quote for Dichloroacetic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dichloroacetic Acid?
Yes, CoreyChem provides custom synthesis services for Dichloroacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.