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Disperse Blue 56 (Technical Grade)

CAT: 0572-TRC-D676780-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D676780-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
12217-79-7
Hazard Statement
Causes skin irritation
Smiles
Nc1ccc(O)c2C(=O)c3c(N)c(Cl)cc(O)c3C(=O)c12
Molecular Formula
C14 H9 Cl N2 O4
Molecular Weight
304.685
InChI
InChI=1S/C14H9ClN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2
Additionnal Information
IUPAC name: 1,5-diamino-2-chloro-4,8-dihydroxyanthracene-9,10-dione
Shipping Conditions
Room Temperature

Chemical Information

9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-
CAS Number12217-79-7
PubChem CID25528
IUPAC Name1,5-diamino-2-chloro-4,8-dihydroxyanthracene-9,10-dione
Molecular FormulaC14H9ClN2O4
Molecular Weight304.68
XLogP2.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity474
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3O)Cl)N)O
InChI
InChI=1S/C14H9ClN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2
InChIKey
SIRMWLMEYFPGAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-
CAS: 12217-79-7
CID: 25528
Formula: C14H9ClN2O4
MW: 304.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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