Propoxycarbazone-sodium

Base Information

• Chemical Name: Propoxycarbazone-sodium
• CAS No.: 181274-15-7
• Molecular Formula: C15H17N4NaO7S
• Molecular Weight: 420.37
• UNII: B7Z8Z1D27B
• ChEMBL ID: CHEMBL3183019
• DSSTox Substance ID: DTXSID9034864
• Wikidata: Q27274480
• Mol file: 181274-15-7.mol

Synonyms:N-((2-(methoxycarbonyl)phenyl)sulfonyl)-4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazole-1-carboximidic acid;propoxycarbazone;propoxycarbazone sodium;sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide;sodium methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)-amino)sulfonyl)benzoate

Chemical Property of Propoxycarbazone-sodium

Chemical Property:

• Vapor Pressure: 9.339999E-13mmHg at 25°C
• Melting Point: 230-240° (dec)
• Boiling Point: 546 °C at 760 mmHg
• PKA: The free acid produced by protonation under acidic conditions has a pKa of 2.1 (at 20 °C)
• Flash Point: 284 °C
• PSA: 138.18000
• LogP: 1.36130
• Storage Temp.: 0-6°C
• Solubility.: Solubilities in organic solvents (g/l at 20 °C) Dimethylsulfoxide: 190 Poly(ethylene glycol): 5.2 Acetonitrile: 0.9 2‐Propanol: <0.1 Xylene: <0.1
• Water Solubility.: Solubility in water (at 20 °C) : Unbuffered water and buffered between pH 7 and 9: 42 g/l. Solubility is not influenced by pH in the range pH 7-9. Solubility at pH 4.5: 2.9 g/l
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 420.07156435
• Heavy Atom Count: 28
• Complexity: 737

Purity/Quality:

98%,99%, ^*data from raw suppliers

Propoxycarbazone sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=NN(C(=O)N1C)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC.[Na+]
• Uses: Herbicide.