1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
TL;DR: 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 116-52-9) is a chemical compound with molecular formula C5H6Cl6N2O3 and molecular weight 351.85095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(2,2,2-trichloro-1-hydroxyethyl)urea
Also Known As: Dicloralurea, Dichloralurea, Crag herbicide 2, Dichloraluree, Dicloraluree
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6Cl6N2O3 |
| Molecular Weight | 351.85095 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 81.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.84802 Da |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
| Melting Point | 196 °C |
| Density | 1.63 at 25 °C |
| Solubility | 0.0074 PPM SOL IN WATER @ 25 °C |
| SMILES | C(C(Cl)(Cl)Cl)(NC(=O)NC(C(Cl)(Cl)Cl)O)O |
| InChIKey | PPJXIHLNYDVTDI-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is used in agrochemical development, including crop protection agent 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 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 116-52-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 116-52-9) has the molecular formula C5H6Cl6N2O3 and a molecular weight of 351.85 g/mol. Reported properties include a density of 1.63 at 25 °C g/cm³, a solubility: 0.0074 PPM SOL IN WATER @ 25 °C. It is also known as Dicloralurea and Dichloralurea.
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 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
Property Insights of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea. Following Lipinski's Rule of Five, 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
The CAS number of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is 116-52-9.
What is the molecular formula of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular formula of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is C5H6Cl6N2O3.
What is the molecular weight of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular weight of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is 351.85095 g/mol.
What are the applications of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem...
Where can I buy 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
You can request a quote for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
Yes, CoreyChem provides custom synthesis services for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.