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1,8-Dihydroxyanthraquinone

CAT: 0572-TRC-D450150-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D450150-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117-10-2
Synonyms
1,8-Dihydroxyanthracene-9,10-dione; Dithranol Imp. B (EP); Danthron; 1,8-Dihydroxy-9,10-anthraquinone; 1,8-Dihydroxyanthraquinone; 1,8-Dioxyanthraquinone; Altan; Antrapurol; Chrysazin; Danthrone; Dantron; Diaquone; Dionone; Dorbane; Istin; Istizin; Laxanorm; Laxanthreen; Laxipur; Laxipurin; Modane; NSC 38626; NSC 646568; NSC 7210; Zwitsalax; Dithranol Impurity B
Hazard Statement
Causes serious eye irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Molecular Formula
C14 H8 O4
Molecular Weight
240.21
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
Additionnal Information
IUPAC name: 1,8-dihydroxyanthracene-9,10-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,8-Dihydroxyanthraquinone

Dantron (Chrysazin; 1,8-Dihydroxyanthraquinone) can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number117-10-2
PubChem CID2950
IUPAC Name1,8-dihydroxyanthracene-9,10-dione
Molecular FormulaC14H8O4
Molecular Weight240.21
XLogP3.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity346
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKey
QBPFLULOKWLNNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,8-Dihydroxyanthraquinone
CAS: 117-10-2
CID: 2950
Formula: C14H8O4
MW: 240.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.21
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass240.04225873
Monoisotopic Mass240.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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