Terbacil

Base Information

• Chemical Name: Terbacil
• CAS No.: 5902-51-2
• Molecular Formula: C9H13 Cl N2 O2
• Molecular Weight: 216.667
• European Community (EC) Number: 227-595-1
• UN Number: 2588
• UNII: S0017J6E25
• DSSTox Substance ID: DTXSID8024317
• Nikkaji Number: J3.079A
• Wikidata: Q2404316
• Metabolomics Workbench ID: 67678
• ChEMBL ID: CHEMBL1901822
• Mol file: 5902-51-2.mol

Synonyms:3-tert-butyl-5-chloro-6-methyluracil;terbacil;terbacil monolithium salt;terbacyl

Chemical Property of Terbacil

Chemical Property:

• Appearance/Colour: Colorless crystals.
• Melting Point: 175-177oC
• Refractive Index: 1.535
• Boiling Point: 386oC
• PKA: 8.79±0.40(Predicted)
• PSA: 54.86000
• Density: 1.34 g/cm3 (25oC)
• LogP: 1.25340
• Storage Temp.: 0-6°C
• Water Solubility.: 0.71g/L(25 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.0665554
• Heavy Atom Count: 14
• Complexity: 328

Purity/Quality:

95% ^*data from raw suppliers

Terbacil ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
• Uses: Herbicide. Terbacil is also absorbed by plant roots and inhibits photosynthesis. It is used for the selective control of many annual and some perennial weeds in apples, citrus, peaches, and sugarcane. Application rates range from 0.5 to 8 kg/ha.

Technology Process of Terbacil

There total 2 articles about Terbacil which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

3-tert-butyl-6-methyluracil (6589-37-3) → terbacil (5902-51-2)

Guidance literature:

With chlorine; In water; at 80 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;

Reference yield:

→ terbacil (5902-51-2)

Guidance literature:

entspr. Cl-freies Uracil, NaOCl;

upstream raw materials:

3-tert-butyl-6-methyluracil

Refernces

• 1、 -. "Halopyridyl triazolinone herbicides and herbicidal use thereof". . . Retrieved 2008/06/13.
• 2、 -. "5,6-Dihydro-1,2,4,6-thiatriazin-5-one-1,1-dioxides". . . Retrieved 2008/06/13.