1H-2,1,3-Benzothiadiazin-4(3H)-one, 8-hydroxy-3-(1-methylethyl)-, 2,2-dioxide

Base Information

• Chemical Name: 1H-2,1,3-Benzothiadiazin-4(3H)-one, 8-hydroxy-3-(1-methylethyl)-, 2,2-dioxide
• CAS No.: 60374-43-8
• Molecular Formula: C10H12N2O4S
• Molecular Weight: 256.2783
• European Community (EC) Number: 611-967-9
• UNII: P6S7VVH2GJ
• DSSTox Substance ID: DTXSID30209140
• Nikkaji Number: J124.971A
• Wikidata: Q83083314
• Mol file: 60374-43-8.mol

Synonyms:60374-43-8;8-Hydroxybentazon;8-Hydroxybentazone;1H-2,1,3-Benzothiadiazin-4(3H)-one, 8-hydroxy-3-(1-methylethyl)-, 2,2-dioxide;8-Hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide;P6S7VVH2GJ;8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one;8-OH-bentazone;UNII-P6S7VVH2GJ;DTXSID30209140;AKOS030242526;AS-72337;D93017;8-Hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide #;8-Hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one2,2-dioxide;8-HYDROXY-2,2-DIOXO-3-PROPAN-2-YL-1H-2.LAMBDA.6,1,3-BENZOTHIADIAZIN-4-ONE;8-hydroxy-3-(propan-2-yl)-3,4-dihydro-1H-2,1,3-benzothiadiazine-2,2,4-trione;8-hydroxy-3-(propan-2-yl)-3,4-dihydro-1H-2??,1,3-benzothiadiazine-2,2,4-trione;8-Hydroxy-3-isopropyl-1H-benzo[c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide

Chemical Property of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 8-hydroxy-3-(1-methylethyl)-, 2,2-dioxide

Chemical Property:

• Vapor Pressure: 5.63E-08mmHg at 25°C
• Melting Point: >164°C (dec.)
• Boiling Point: 429.4°Cat760mmHg
• PKA: 3.77±0.70(Predicted)
• Flash Point: 213.5°C
• PSA: 95.09000
• Density: 1.448g/cm³
• LogP: 2.06980
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 256.05177804
• Heavy Atom Count: 17
• Complexity: 415

Purity/Quality:

97% ^*data from raw suppliers

8-Hydroxybentazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O
• Uses: 8-Hydroxybentazone, is a metabolite of Bentazon, a selective post-emergence herbicide.