Chloral
TL;DR: Chloral (CAS 75-87-6) 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.
2,2,2-trichloroacetaldehyde
Also Known As: CHLORAL, Trichloroacetaldehyde, 2,2,2-Trichloroacetaldehyde, Trichloroethanal, Grasex
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HCl3O |
| Molecular Weight | 145.9093 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.9093 Da |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
| Melting Point | -71.5 °F (NTP, 1992) |
| Boiling Point | 208 °F at 760 mmHg (NTP, 1992) |
| Density | 1.51 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 167 °F (NTP, 1992) |
| Vapor Pressure | 35 mmHg at 68 °F ; 40 mmHg at 68.4 °F; 760 mmHg at 207.9 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.45572 at 20 °C/D; 1.4512 at 21.4 °C/He |
| Solubility | Reaction (NTP, 1992) |
| SMILES | C(=O)C(Cl)(Cl)Cl |
| InChIKey | HFFLGKNGCAIQMO-UHFFFAOYSA-N |
Product Description
Applications: Chloral is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. 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).
Chloral (CAS 75-87-6) is a heterocyclic building block with the molecular formula C2HCl3O and a molecular weight of 145.91 g/mol. Key physical properties include a density of 1.51 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Reaction (NTP, 1992). Synonyms include CHLORAL and Trichloroacetaldehyde.
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 Chloral
Property Insights of Chloral
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloral. With a topological polar surface area (TPSA) of 17.1 Ų, Chloral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloral 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 Chloral?
The CAS number of Chloral is 75-87-6.
What is the molecular formula of Chloral?
The molecular formula of Chloral is C2HCl3O.
What is the molecular weight of Chloral?
The molecular weight of Chloral is 145.9093 g/mol.
What are the applications of Chloral?
Chloral is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Chloral?
You can request a quote for Chloral directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloral?
Yes, CoreyChem provides custom synthesis services for Chloral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.