Basic information
- CAS
52236-30-3- Standard SMILES
CC(C)(C)c1n[nH]c(=O)[nH]c1=O- InChIKey
ZARIFGFXSIZTAK-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Names & identifiers
- Preferred name
- 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
- IUPAC
- 6-tert-butyl-2H-1,2,4-triazine-3,5-dione
- English name
- Metribuzin-desamino-diketo
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
52236-30-31,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-RefChem:1052073Metribuzin DADK1,2,4-Triazine-3,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-6-tert-butyl-2H-1,2,4-triazine-3,5-dioneMETRIBUZIN-DESAMINO-DIKETO6-(tert-butyl)-1,2,4-triazine-3,5(2H,4H)-dione6-(1,1-dimethylethyl)-1,2,4-triazine-3,5(2H,4H)-dionemetribuzin TP2desaminodiketometribuzin6-(tert-butyl)-2H,4H-1,2,4-triazine-3,5-dione
Show more names
DADKMetribuzin Impurity 6DeaminodiketometribuzinMETRIBUZIN DADK STANDARDDeaminodesmethylthiometribuzinMetribuzin Desamino Diketo ImpurityC15200500 Metribuzin-desamino-diketo
6-tert-Butyl-1,2,4-triazine-3,5(2H,4H)-dioneDTXSID9052840SCHEMBL19403690M03 (desamino-diketo-metribuzin)ZARIFGFXSIZTAK-UHFFFAOYSA-N6-(1,1-Dimethylethyl)-1,2,4-triazine-2,5(2H,4H)-dioneMFCD00270157AKOS006272230
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide degradation product
Physicochemical properties
- Melting point
- 270 °C · 270 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 7.81 · 7.81±0.40(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- EPA Substance Registry System
- 1 · 1,2,4-Triazine-3,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- (52236-30-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Desamino-diketo metribuzin
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
UsesMetribuzin DADK is a fungicide and herbicide based on aminotriazinone class of compounds. Inhibits the photosynthesis process.
Suppliers16 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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