6-hydroxyisoquinolin-1(2H)-one

Base Information

• Chemical Name: 6-hydroxyisoquinolin-1(2H)-one
• CAS No.: 252061-78-2
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID70440979
• Wikidata: Q82257497
• Mol file: 252061-78-2.mol

Synonyms:6-hydroxyisoquinolin-1(2H)-one;252061-78-2;6-hydroxy-2H-isoquinolin-1-one;isoquinoline-1,6-diol;6-hydroxy-2H-isoquinolinone;SCHEMBL1035426;DTXSID70440979;GCJZYOIXXVVQKC-UHFFFAOYSA-N;CKA06178;MFCD12405871;AKOS015919106;DS-6303;CS-0043884;FT-0656677;C74307;EN300-3202500;A817707;6-Hydroxyisoquinolin-1(2H)-one

Chemical Property of 6-hydroxyisoquinolin-1(2H)-one

Chemical Property:

• Boiling Point: 506.069 °C at 760 mmHg
• PKA: 8.05±0.20(Predicted)
• Flash Point: 259.861 °C
• PSA: 53.09000
• Density: 1.337 g/cm³
• LogP: 1.23370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

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

6-Hydroxyisoquinolin-1(2H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CNC2=O)C=C1O