Rose bengal potassium I-131

Base Information

• Chemical Name: Rose bengal potassium I-131
• CAS No.: 39989-37-2
• Molecular Formula: C20H2Cl4I4K2O5
• Molecular Weight: 1065.86
• UNII: FUM4BF13E7
• Wikidata: Q27278215
• Mol file: 39989-37-2.mol

Synonyms:Rose bengal potassium I-131;UNII-FUM4BF13E7;FUM4BF13E7;Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetra(iodo-131I)-, dipotassium salt;39989-37-2;ROSE BENGAL I 131;Q27278215;30577-18-5;SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE, 4,5,6,7-TETRACHLORO-3',6'-DIHYDROXY-2',4',5',7'-TETRAIODO-, LABELED WITH IODINE-131, DIPOTASSIUM SALT

Chemical Property of Rose bengal potassium I-131

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 1065.41460
• Heavy Atom Count: 35
• Complexity: 936

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)[O-])I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[K+].[K+]
• Isomeric SMILES: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1[131I])[O-])[131I])[131I])[131I])C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[K+].[K+]