Primisulfuron

Base Information

• Chemical Name: Primisulfuron
• CAS No.: 113036-87-6
• Molecular Formula: C14H10F4N4O7S
• Molecular Weight: 454.31
• UNII: 7UFU80LX99
• DSSTox Substance ID: DTXSID40150270
• Nikkaji Number: J634.899H
• Wikidata: Q27155699
• ChEMBL ID: CHEMBL2251449
• Mol file: 113036-87-6.mol

Synonyms:primisulfuron

Chemical Property of Primisulfuron

Chemical Property:

• Melting Point: 203.1oC
• Refractive Index: 1.535
• PKA: 2.74±0.36(Predicted)
• PSA: 165.19000
• Density: 1.679 g/cm³
• LogP: 3.43270
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 454.02063249
• Heavy Atom Count: 30
• Complexity: 691

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F

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