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Disperse Red 60 (Technical Grade)

CAT: 0572-TRC-D014960-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D014960-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17418-58-5
Hazard Statement
May cause an allergic skin reaction
Smiles
Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13
Molecular Formula
C20 H13 N O4
Molecular Weight
331.322
InChI
InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2
Additionnal Information
IUPAC name: 1-amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Disperse Red 60

Disperse red 60 is a fine deep-red powder with white specks. (NTP, 1992)

CAS Number17418-58-5
PubChem CID28531
IUPAC Name1-amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
Molecular FormulaC20H13NO4
Molecular Weight331.3
XLogP4.5
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity530
SMILES
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2
InChIKey
MHXFWEJMQVIWDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disperse Red 60
CAS: 17418-58-5
CID: 28531
Formula: C20H13NO4
MW: 331.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.3
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass331.08445790
Monoisotopic Mass331.08445790
Topological Polar Surface Area89.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity530
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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