Pyriminobac-methyl

Base Information

• Chemical Name: Pyriminobac-methyl
• CAS No.: 147411-69-6
• Molecular Formula: C17H19 N3 O6
• Molecular Weight: 361.35
• European Community (EC) Number: 603-944-7
• UNII: WJ3768O35Z
• DSSTox Substance ID: DTXSID5058307
• Nikkaji Number: J869.259I
• Wikidata: Q27231173
• Metabolomics Workbench ID: 49080

Synonyms:Pyriminobac-methyl;(E)-PYRIMINOBAC-METHYL;147411-69-6;Prosper;Pyriminobac-methyl [ISO];E-Pyriminobac-methyl;Pyriminobac-methyl [ISO:BSI];Pyriminobac-methyl (E);UNII-WJ3768O35Z;136191-64-5;WJ3768O35Z;methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate;Methyl (E)-2-((4,6-dimethoxypyrimidin-2-yl)oxy)-6-(1-(N-methoxyimino)ethyl)benzoate;methyl 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(1E)-1-(methoxyimino)ethyl]benzoate;KIH-6127;HIECLEAN;Pyriminobac-methyl, BSI;(E)-Pyriminobac-methyl 10 microg/mL in Cyclohexane;(Z)-Pyriminobac-methyl 10 microg/mL in Cyclohexane;SCHEMBL65714;PYRIMINOBAC METHYL ESTER;DTXSID5058307;CHEBI:81780;KUH 920;KUH-920;USSIUIGPBLPCDF-JMIUGGIZSA-N;KIH 6127;AKOS015911116;C18486;Q27231173;2-(4,6-Dimethoxy-2-pyrimidinyloxy)-6-[1-[(Z)-methoxyimino]ethyl]benzoic acid methyl ester;BENZOIC ACID, 2-((4,6-DIMETHOXY-2-PYRIMIDINYL)OXY)-6-((1E)-1-(METHOXYIMINO)ETHYL)-, METHYL ESTER

Chemical Property of Pyriminobac-methyl

Chemical Property:

• Melting Point: 107～111℃
• Boiling Point: 536.3°Cat760mmHg
• PKA: -0.04±0.30(Predicted)
• Flash Point: 278.1°C
• PSA: 101.36000
• Density: 1.25g/cm³
• LogP: 2.44310
• Storage Temp.: 0-6°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 361.12738533
• Heavy Atom Count: 26
• Complexity: 477

Purity/Quality:

95% ^*data from raw suppliers

(E)-PYRIMINOBAC-METHYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOC)C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC
• Isomeric SMILES: C/C(=N\OC)/C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC

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