Dichloroacetyl chloride
TL;DR: Dichloroacetyl chloride (CAS 79-36-7) is a chemical compound with molecular formula C2HCl3O and molecular weight 145.9093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloroacetyl chloride
Also Known As: DICHLOROACETYL CHLORIDE, 2,2-Dichloroacetyl chloride, Dichloracetyl chloride, Dichloroethanoyl chloride, Acetyl chloride, dichloro-
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HCl3O |
| Molecular Weight | 145.9093 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.9093 Da |
| Heavy Atoms | 6 |
| Complexity | 59.0 |
| Boiling Point | 225 to 226 °F at 760 mmHg (NTP, 1992) |
| Density | 1.5315 at 61 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 151 °F (NTP, 1992) |
| Vapor Pressure | 154 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.4638 @ 16 °C/D |
| Solubility | Decomposes (NTP, 1992) |
| SMILES | C(C(=O)Cl)(Cl)Cl |
| InChIKey | FBCCMZVIWNDFMO-UHFFFAOYSA-N |
Product Description
Applications: Dichloroacetyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dichloroacetyl chloride (CAS 79-36-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Dichloroacetyl chloride (CAS 79-36-7) has the molecular formula C2HCl3O and a molecular weight of 145.91 g/mol. Reported properties include a density of 1.5315 at 61 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Decomposes (NTP, 1992). It is also known as DICHLOROACETYL CHLORIDE and 2,2-Dichloroacetyl chloride.
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 Dichloroacetyl chloride
Property Insights of Dichloroacetyl chloride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, Dichloroacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetyl chloride 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
What is the CAS number of Dichloroacetyl chloride?
The CAS number of Dichloroacetyl chloride is 79-36-7.
What is the molecular formula of Dichloroacetyl chloride?
The molecular formula of Dichloroacetyl chloride is C2HCl3O.
What is the molecular weight of Dichloroacetyl chloride?
The molecular weight of Dichloroacetyl chloride is 145.9093 g/mol.
What are the applications of Dichloroacetyl chloride?
Dichloroacetyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy Dichloroacetyl chloride?
You can request a quote for Dichloroacetyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dichloroacetyl chloride?
Yes, CoreyChem provides custom synthesis services for Dichloroacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.