2-Nitroanthracene trans-5,6-dihydrodiol

Base Information

• Chemical Name: 2-Nitroanthracene trans-5,6-dihydrodiol
• CAS No.: 109897-79-2
• Molecular Formula: C14H11 N O4
• Molecular Weight: 257.2414
• UNII: 3T8R88PC1D
• DSSTox Substance ID: DTXSID30149072
• Wikidata: Q83014751
• Mol file: 109897-79-2.mol

Synonyms:CCRIS 2122;2-Nitroanthracene trans-5,6-dihydrodiol;trans-5,6-Dihydroxy-2-nitro-5,6-dihydroanthracene;3T8R88PC1D;109897-79-2;1,2-Anthracenediol, 1,2-dihydro-6-nitro-, trans-;(1-beta,2-alpha)-1,2-Dihydro-6-nitro-1,2-anthracenediol;1,2-Anthracenediol, 1,2-dihydro-6-nitro-, (1-beta,2-alpha)-;1,2-Dihydro-6-nitro-1,2-anthracenediol, trans-;1,2-Anthracenediol, 1,2-dihydro-6-nitro-, trans- (9CI);UNII-3T8R88PC1D;(1R,2R)-6-nitro-1,2-dihydroanthracene-1,2-diol;DTXSID30149072;LS-20300;2-NITROANTHRACENE-5,6-DIHYDRODIOL, TRANS-;(1R,2R)-6-NITRO-1,2-DIHYDRO-1,2-ANTHRACENEDIOL;2-NITROANTHRACENE-5,6-DIHYDRODIOL, TRANS-(+/-)-;1,2-ANTHRACENEDIOL, 1,2-DIHYDRO-6-NITRO-, (1R,2R)-REL-;(1-.BETA.,2-.ALPHA.)-1,2-DIHYDRO-6-NITRO-1,2-ANTHRACENEDIOL

Chemical Property of 2-Nitroanthracene trans-5,6-dihydrodiol

Chemical Property:

• Vapor Pressure: 1.33E-11mmHg at 25°C
• Boiling Point: 519.1°C at 760 mmHg
• Flash Point: 223.1°C
• Density: 1.517g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C3C=CC(=CC3=C2)[N+](=O)[O-])C(C1O)O
• Isomeric SMILES: C1=CC2=C(C=C3C=CC(=CC3=C2)[N+](=O)[O-])[C@H]([C@@H]1O)O