Cas no 602-65-3 (1,2,7-Trihydroxyanthraquinone)
1,2,7-Trihydroxyanthraquinone structure
Product Name:1,2,7-Trihydroxyanthraquinone
1,2,7-Trihydroxyanthraquinone Chemical and Physical Properties
Names and Identifiers
-
- 1,2,7-Trihydroxyanthraquinone
- 1,2,7-trihydroxyanthracene-9,10-dione
- 1,2,7-trihydroxy-9,10-anthracenedione
- 1,2,7-Trihydroxy-9,10-anthraquinone
- 1,2,7-Trihydroxy-anthrachinon
- 1,2,7-trihydroxy-anthraquinone
- 1,7-Trihydroxyanthraquinone
- 9,1,2,7-trihydroxy
- Anthrapurpurin
- 9, 1,2,7-trihydroxy-
- Anthraquinone, 1,2,7-trihydroxy-
- AKOS022507283
- DTXSID40208947
- NSC37590
- NSC 75635
- CHEBI:37486
- C.I. 58255
- SCHEMBL1507679
- UNII-3DZB1V3N5H
- 3DZB1V3N5H
- Q4773857
- 602-65-3
- NSC-75635
- NCIOpen2_004773
- Anthraquinone,2,7-trihydroxy-
- NSC-37590
- 1,7-Trihydroxy-9,10-anthraquinone
- BDBM50568427
- CHEMBL4864788
- 9,10-Anthracenedione, 1,2,7-trihydroxy-
- FT-0632497
- NSC75635
- NSC 37590
-
- Inchi： 1S/C14H8O5/c15-6-1-2-7-9(5-6)13(18)11-8(12(7)17)3-4-10(16)14(11)19/h1-5,15-16,19H
- InChI Key： WNHUAWNEKMITEW-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2C(C3C=CC(=CC=3C(C=21)=O)O)=O)O
Computed Properties
- Exact Mass: 256.03700
- Monoisotopic Mass: 256.037173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 407
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 96
- XLogP3: 2.4
- Topological Polar Surface Area: 94.8
Experimental Properties
- Color/Form: Not available
- Density: 1.3683 (rough estimate)
- Melting Point: 374°C
- Boiling Point: 359.45°C (rough estimate)
- Flash Point: 247.3°C
- Refractive Index: 1.4825 (estimate)
- PSA: 94.83000
- LogP: 1.57880
- Solubility: Not available
1,2,7-Trihydroxyanthraquinone Security Information
- Hazard Category Code： 36/37/38
- Safety Instruction： S22; S24/25
- Risk Phrases：R36/37/38
1,2,7-Trihydroxyanthraquinone Related Literature
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W. H. Perkin J. Chem. Soc. 1873 26 425
-
Hong Chen,Di Zhu,Tuba Kavalli,Pu Xiao,Michael Schmitt,Jacques Lalevée Polym. Chem. 2023 14 3543
-
W. H. Perkin J. Chem. Soc. 1876 29 851
-
4. XXV.—Note on the action of ammonia on anthrapurpurinW. H. Perkin J. Chem. Soc. Trans. 1878 33 216
-
Arthur George Perkin,Ralph Charles Storey J. Chem. Soc. 1928 229
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