8-Octanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt

Base Information

• Chemical Name: 8-Octanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt
• CAS No.: 115787-84-3
• Molecular Formula: C24H24 O11 S3 . 3 Na
• Molecular Weight: 650.58
• European Community (EC) Number: 635-012-0
• DSSTox Substance ID: DTXSID50555893
• Mol file: 115787-84-3.mol

Synonyms:115787-84-3;8-Octanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt;trisodium;8-octanoyloxypyrene-1,3,6-trisulfonate;Sodium 8-(octanoyloxy)pyrene-1,3,6-trisulfonate;DTXSID50555893;TRISODIUM 8-(OCTANOYLOXY)PYRENE-1,3,6-TRISULFONATE;Sodium8-(octanoyloxy)pyrene-1,3,6-trisulfonate;8-Octanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt, suitable for fluorescence, >=90% (HPCE)

Chemical Property of 8-Octanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt

Chemical Property:

• Melting Point: 251-260 °C(lit.)
• PSA: 223.04000
• LogP: 6.80460
• Storage Temp.: −20°C
• Solubility.: DMF: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 649.99390785
• Heavy Atom Count: 41
• Complexity: 1140

Purity/Quality:

98%Min ^*data from raw suppliers

8-Octanoyloxypyrene-1,3,6-trisulfonic acid trisodium salt suitable for fluorescence, ≥90% (HPCE) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]