Tebuthiuron

Base Information

• Chemical Name: Tebuthiuron
• CAS No.: 34014-18-1
• Molecular Formula: C9H16N4OS
• Molecular Weight: 228.318
• Hs Code.: 29349990
• European Community (EC) Number: 251-793-7
• UN Number: 3077
• UNII: E5OX6GM11E
• DSSTox Substance ID: DTXSID3024316
• Nikkaji Number: J21.702F
• Wikipedia: Tebuthiuron
• Wikidata: Q125986
• ChEMBL ID: CHEMBL1457493
• Mol file: 34014-18-1.mol

Synonyms:1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3- dimethylurea;tebuthiuron

Chemical Property of Tebuthiuron

Chemical Property:

• Appearance/Colour: Colorless odorless crystals
• Melting Point: 161-164°C
• Refractive Index: 1.554
• PKA: 13.36±0.46(Predicted)
• PSA: 86.36000
• Density: 1.186 g/cm³
• LogP: 2.00210
• Storage Temp.: 0-6°C
• Water Solubility.: 2.3g/L(temperature not stated)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.10448232
• Heavy Atom Count: 15
• Complexity: 241
• Transport DOT Label: Class 9

Purity/Quality:

98% ^*data from raw suppliers

Tebuthiuron ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; N
• Hazard Codes: Xn;N,N,Xn
• Statements: 22-50/53
• Safety Statements: 37-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Urea Derivative
• Canonical SMILES: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
• Uses: Tebuthiuron is an nonselective broad spectrum herbicide used to control weeds, woody and herbaceous plants. Herbicide. Nonselective herbicide used to control herbaceous and woody plants on noncrop land.

Technology Process of Tebuthiuron

There total 9 articles about Tebuthiuron 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: 94.4%

N,N'-Dimethylurea (96-31-1) + 5-tert-butyl-2-chloro-1,3,4-thiadiazole → tebuthiuron (34014-18-1)

Guidance literature:

With sodium hydroxide; In water; toluene; at 60 ℃; for 5h; Solvent; Temperature; Reagent/catalyst;

Reference yield: 94.3%

N,N'-Dimethylurea (96-31-1) + 5-tert-butyl-2-methanesulfonyl-1,3,4-thiadiazole (95517-81-0) → tebuthiuron (34014-18-1)

Guidance literature:

With sodium hydroxide; In water; toluene; at 80 ℃; for 2h;

Reference yield: 84.8%

C9H15N3O2S + methylamine (74-89-5) → tebuthiuron (34014-18-1)

Guidance literature:

In tetrahydrofuran; Reflux;

upstream raw materials:

N,N'-Dimethylurea

5-tert-butyl-2-methanesulfonyl-1,3,4-thiadiazole

methylamine

Trimethylacetic acid

Downstream raw materials:

methylamine

Refernces

• 1、 -. "Synthetic method of 1,3,4-thiadiazole derivative". . . Retrieved 2018/12/05.
• 2、 -. "A method for synthesizing special Ding Saicao is prosperous (by machine translation)". Paragraph 0024; 0025. . Retrieved 2016/10/10.