Chloral Hydrate
TL;DR: Chloral Hydrate (CAS 302-17-0) is a chemical compound with molecular formula C2H3Cl3O2 and molecular weight 163.91986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
水合氯醛
2,2,2-trichloroethane-1,1-diol
Also Known As: chloral hydrate, Noctec, Tosyl, Chloralhydrate, Chloraldurat
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3Cl3O2 |
| Molecular Weight | 163.91986 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.91986 Da |
| Heavy Atoms | 7 |
| Complexity | 56.0 |
| Melting Point | 135 °F (NTP, 1992) |
| Boiling Point | 207.5 °F at 760 mmHg (NTP, 1992) |
| Density | 1.9081 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 5 mmHg at 50 °F ; 10 mmHg at 67.1 °F; 60 mmHg at 115.2 °F (NTP, 1992) |
| Solubility | greater than or equal to 10 mg/mL at 68.9 °F (NTP, 1992) |
| SMILES | C(C(Cl)(Cl)Cl)(O)O |
| InChIKey | RNFNDJAIBTYOQL-UHFFFAOYSA-N |
Product Description
Applications: Chloral Hydrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chloral Hydrate (CAS 302-17-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Chloral Hydrate (CAS 302-17-0) has the molecular formula C2H3Cl3O2 and a molecular weight of 163.92 g/mol. Reported properties include a density of 1.9081 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 10 mg/mL at 68.9 °F (NTP, 1992). It is also known as chloral hydrate and Noctec.
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 Hydrate
Property Insights of Chloral Hydrate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloral Hydrate. With a topological polar surface area (TPSA) of 40.5 Ų, Chloral Hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloral Hydrate has 2 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 Chloral Hydrate?
The CAS number of Chloral Hydrate is 302-17-0.
What is the molecular formula of Chloral Hydrate?
The molecular formula of Chloral Hydrate is C2H3Cl3O2.
What is the molecular weight of Chloral Hydrate?
The molecular weight of Chloral Hydrate is 163.91986 g/mol.
What are the applications of Chloral Hydrate?
Chloral Hydrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chloral Hydrate (CAS 302-17-0) with...
Where can I buy Chloral Hydrate?
You can request a quote for Chloral Hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloral Hydrate?
Yes, CoreyChem provides custom synthesis services for Chloral Hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.