1-Pyrenesulfonic acid hydrate

Base Information

• Chemical Name: 1-Pyrenesulfonic acid hydrate
• CAS No.: 654055-00-2
• Molecular Formula: C16H10O3S
• Molecular Weight: 0
• European Community (EC) Number: 627-350-2
• DSSTox Substance ID: DTXSID80583649
• Mol file: 654055-00-2.mol

Synonyms:1-Pyrenesulfonic acid hydrate;654055-00-2;pyrene-1-sulfonic acid;hydrate;PYRENE-1-SULFONIC ACID HYDRATE;pyrene sulfonic acid hydrate;SCHEMBL14688267;DTXSID80583649;RRDYFCSDPUHYDA-UHFFFAOYSA-N;AKOS015893946;Pyrene-1-sulfonic acid--water (1/1)

Chemical Property of 1-Pyrenesulfonic acid hydrate

Chemical Property:

• Vapor Pressure: 6.67E-17mmHg at 25°C
• Melting Point: 125-129 °C(lit.)
• Boiling Point: 633.2°C at 760 mmHg
• Flash Point: 336.7°C
• PSA: 71.98000
• LogP: 4.84720
• Solubility.: DMSO: soluble250mg/10 mL, clear to slightly hazy, yellow to brow
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 300.04563003
• Heavy Atom Count: 21
• Complexity: 480

Purity/Quality:

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

1-Pyrenesulfonic acid hydrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 22-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)O.O