(9S,10S)-9,10-dihydrophenanthrene-9,10-diol

Base Information

• Chemical Name: (9S,10S)-9,10-dihydrophenanthrene-9,10-diol
• CAS No.: 572-41-8
• Deprecated CAS: 25061-61-4
• Molecular Formula: C14H12O2
• Molecular Weight: 212.24
• Nikkaji Number: J88.133C
• Wikidata: Q27103977
• Metabolomics Workbench ID: 51898
• Mol file: 572-41-8.mol

Synonyms:(9S,10S)-9,10-dihydrophenanthrene-9,10-diol;572-41-8;TRANS-9,10-DIHYDROXY-9,10-DIHYDROPHENANTHRENE;trans-9(S),10(S)-Dihydrodiolphenanthrene;(E)-9,10-Dihydro-9,10-phenanthrenediol;(E)-9,10-Dihydroxy-9,10-dihydrophenanthrene;9,10-Phenanthrenediol, 9,10-dihydro- (E)-;9,10-Phenanthrenediol, 9,10-dihydro-, trans-;Rel-(9S,10S)-9,10-dihydrophenanthrene-9,10-diol;9,10-Phenanthrenediol, 9,10-dihydro-, (R,10R)-rel-;9,10-Phenanthrenediol, 9,10-dihydro-, (9R,10R)-rel-;CHEBI:28951;c0453;LS-102652;Phenanthrene-trans-9(S),10(S)-dihydrodiol;9,10-Dihydro-9alpha,10beta-phenanthrenediol;9(S),10(S)-dihydro-(E)-9,10-Phenanthrenediol;Q27103977;trans-9(S),10(S)-Dihydro-9,10-dihydroxyphenanthrene;trans-9(S),10(S)-Dihydroxy-9,10-dihydrophenanthrene;23190-41-2

Chemical Property of (9S,10S)-9,10-dihydrophenanthrene-9,10-diol

Chemical Property:

• Vapor Pressure: 2.85E-07mmHg at 25°C
• Melting Point: 185 °C
• Refractive Index: 1.696
• Boiling Point: 404.6 °C at 760 mmHg
• PKA: 13.44±0.40(Predicted)
• Flash Point: 200.5 °C
• PSA: 40.46000
• Density: 1.326 g/cm³
• LogP: 2.43400
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Sonicated), Methanol (
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

trans-9,10-Dihydroxy-9,10-dihydrophenanthrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C(C3=CC=CC=C32)O)O
• Isomeric SMILES: C1=CC=C2C(=C1)[C@@H]([C@H](C3=CC=CC=C32)O)O
• Uses: A dihydroxy metabolite of Phenanthrene with trans conformation.