Trichlorourethan
TL;DR: Trichlorourethan (CAS 107-69-7) is a chemical compound with molecular formula C3H4Cl3NO2 and molecular weight 190.93076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trichloroethyl carbamate
Also Known As: Trichlorourethan, 2,2,2-Trichloroethyl carbamate, Voluntal, Trichlorourethane, Trichloroethyl carbamate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4Cl3NO2 |
| Molecular Weight | 190.93076 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.93076 Da |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
| SMILES | C(C(Cl)(Cl)Cl)OC(=O)N |
| InChIKey | QPLJYAKLSCXZSF-UHFFFAOYSA-N |
Product Description
Applications: Trichlorourethan is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trichlorourethan (CAS 107-69-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Trichlorourethan (CAS 107-69-7) is a heterocyclic building block with the molecular formula C3H4Cl3NO2 and a molecular weight of 190.93 g/mol. It is also known as Trichlorourethan and 2,2,2-Trichloroethyl carbamate.
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 Trichlorourethan
Property Insights of Trichlorourethan
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichlorourethan. With a topological polar surface area (TPSA) of 52.3 Ų, Trichlorourethan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichlorourethan has 1 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 Trichlorourethan?
The CAS number of Trichlorourethan is 107-69-7.
What is the molecular formula of Trichlorourethan?
The molecular formula of Trichlorourethan is C3H4Cl3NO2.
What is the molecular weight of Trichlorourethan?
The molecular weight of Trichlorourethan is 190.93076 g/mol.
What are the applications of Trichlorourethan?
Trichlorourethan is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trichlorourethan (CAS 107-69-7) with...
Where can I buy Trichlorourethan?
You can request a quote for Trichlorourethan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichlorourethan?
Yes, CoreyChem provides custom synthesis services for Trichlorourethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.