1,1,2-Trichloroethane
TL;DR: 1,1,2-Trichloroethane (CAS 79-00-5) 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.
1,1,2-trichloroethane
Also Known As: 1,1,2-TRICHLOROETHANE, Vinyltrichloride, Vinyl trichloride, beta-Trichloroethane, Ethane trichloride
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 | 1.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.93004 Da |
| Heavy Atoms | 5 |
| Complexity | 18.0 |
| Melting Point | -35 °F (NTP, 1992) |
| Boiling Point | 235 °F at 760 mmHg (NTP, 1992) |
| Density | 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 16.7 mmHg at 68 °F ; 20 mmHg at 70.9 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4711 at 20 °C/D |
| Solubility | 1 to 5 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C(C(Cl)Cl)Cl |
| InChIKey | UBOXGVDOUJQMTN-UHFFFAOYSA-N |
Product Description
Applications: 1,1,2-Trichloroethane 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. CoreyChem supplies 1,1,2-Trichloroethane (CAS 79-00-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,1,2-Trichloroethane is a heterocyclic building block identified by CAS number 79-00-5 and the molecular formula C2H3Cl3 and a molecular weight of 131.93 g/mol. Physically, the compound has a density of 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 1 to 5 mg/mL at 68 °F (NTP, 1992). It is also known as 1,1,2-TRICHLOROETHANE and Vinyltrichloride.
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 1,1,2-Trichloroethane
Property Insights of 1,1,2-Trichloroethane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2-Trichloroethane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2-Trichloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2-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 1,1,2-Trichloroethane?
The CAS number of 1,1,2-Trichloroethane is 79-00-5.
What is the molecular formula of 1,1,2-Trichloroethane?
The molecular formula of 1,1,2-Trichloroethane is C2H3Cl3.
What is the molecular weight of 1,1,2-Trichloroethane?
The molecular weight of 1,1,2-Trichloroethane is 131.93004 g/mol.
What are the applications of 1,1,2-Trichloroethane?
1,1,2-Trichloroethane 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. CoreyChem supplies 1,1,2-Trichloroethane (CAS...
Where can I buy 1,1,2-Trichloroethane?
You can request a quote for 1,1,2-Trichloroethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,2-Trichloroethane?
Yes, CoreyChem provides custom synthesis services for 1,1,2-Trichloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.