7-Sulfooxymethylbenz(a)anthracene

Base Information

• Chemical Name: 7-Sulfooxymethylbenz(a)anthracene
• CAS No.: 87976-77-0
• Molecular Formula: C19H14 O4 S
• Molecular Weight: 338.38
• DSSTox Substance ID: DTXSID00236726
• Nikkaji Number: J815.977G
• Wikidata: Q83118752
• Mol file: 87976-77-0.mol

Synonyms:7-SBA cpd;7-sulfooxymethylbenz(a)anthracene;7-sulfooxymethylbenz(a)anthracene, sodium salt

Chemical Property of 7-Sulfooxymethylbenz(a)anthracene

Chemical Property:

• Vapor Pressure: 2.15E-11mmHg at 25°C
• Boiling Point: 514.1°C at 760 mmHg
• PKA: -3.58±0.18(Predicted)
• Flash Point: 227.5°C
• PSA: 71.98000
• Density: 1.452±0.06 g/cm3(Predicted)
• LogP: 5.54640
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 338.06128010
• Heavy Atom Count: 24
• Complexity: 540

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)COS(=O)(=O)O