1,1,1-Trichloroethane
TL;DR: 1,1,1-Trichloroethane (CAS 71-55-6) is a chemical compound with molecular formula C2H3Cl3 and molecular weight 131.93004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trichloroethane
Also Known As: 1,1,1-TRICHLOROETHANE, Methylchloroform, Chlorothene, TRICHLOROETHANE, Inhibisol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3Cl3 |
| Molecular Weight | 131.93004 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.93004 Da |
| Heavy Atoms | 5 |
| Complexity | 26.0 |
| Melting Point | -26.5 °F (NTP, 1992) |
| Boiling Point | 165.4 °F at 760 mmHg (NTP, 1992) |
| Density | 1.31 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Vapor Pressure | 100 mmHg at 68 °F ; 125 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4711 at 20 °C/D |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC(Cl)(Cl)Cl |
| InChIKey | UOCLXMDMGBRAIB-UHFFFAOYSA-N |
Product Description
Applications: 1,1,1-Trichloroethane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,1,1-Trichloroethane (CAS 71-55-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,1,1-Trichloroethane (CAS 71-55-6) is a polymer intermediate with the molecular formula C2H3Cl3 and a molecular weight of 131.93 g/mol. Key physical properties include a density of 1.31 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as 1,1,1-TRICHLOROETHANE and Methylchloroform.
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 1,1,1-Trichloroethane
Property Insights of 1,1,1-Trichloroethane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloroethane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1-Trichloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloroethane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1,1-Trichloroethane?
The CAS number of 1,1,1-Trichloroethane is 71-55-6.
What is the molecular formula of 1,1,1-Trichloroethane?
The molecular formula of 1,1,1-Trichloroethane is C2H3Cl3.
What is the molecular weight of 1,1,1-Trichloroethane?
The molecular weight of 1,1,1-Trichloroethane is 131.93004 g/mol.
What are the applications of 1,1,1-Trichloroethane?
1,1,1-Trichloroethane is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,1,1-Trichloroethane (CAS...
Where can I buy 1,1,1-Trichloroethane?
You can request a quote for 1,1,1-Trichloroethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trichloroethane?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trichloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.