1-Pyrenehexadecanoicacid

Base Information

• Chemical Name: 1-Pyrenehexadecanoicacid
• CAS No.: 90936-84-8
• Molecular Formula: C32H40 O2
• Molecular Weight: 456.66
• DSSTox Substance ID: DTXSID00376358
• Nikkaji Number: J682.531A
• Wikidata: Q82165296
• Mol file: 90936-84-8.mol

Synonyms:1-Pyrenehexadecanoicacid;90936-84-8;1-Pyrenehexadecanoic acid;16-pyren-1-ylhexadecanoic Acid;SCHEMBL4634469;DTXSID00376358;FT-0608291

Chemical Property of 1-Pyrenehexadecanoicacid

Chemical Property:

• Vapor Pressure: 8.11E-17mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 631.5°C at 760 mmHg
• PKA: 4.78±0.10, most acidic, temperature: 25°C
• Flash Point: 527.6°C
• PSA: 37.30000
• Density: 1.085g/cm³
• LogP: 9.67250
• Solubility.: Soluble in N,N-dimethylformamide, dimethyl sulfoxide, methanol
• XLogP3: 11.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 456.302830514
• Heavy Atom Count: 34
• Complexity: 586

Purity/Quality:

99% ^*data from raw suppliers

1-PYRENEHEXADECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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