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Disperse black 9

CAT: 0804-HY-D0524Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D0524Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Disperse black 9 is a violet dye commonly used for fiber dyeing.
CAS Number
20721-50-0
UNSPSC
12171500
Hazard Statement
H315-H319-H335
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/disperse-black-9.html
Solubility
10 mM in DMSO
Smiles
NC1=CC=C(N=NC2=CC=C(N(CCO)CCO)C=C2)C=C1
Molecular Formula
C16H20N4O2
Molecular Weight
300.36
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
References & Citations
[1]Koh J. Dyeing with disperse dyes[J]. Textile dyeing, 2011, 10: 195-220.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Disperse Black 9

Disperse Black 9 is an organic molecular entity. It has a role as a dye.

CAS Number20721-50-0
PubChem CID88669
IUPAC Name2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Molecular FormulaC16H20N4O2
Molecular Weight300.36
XLogP1.8
Topological Polar Surface Area94.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity318
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N(CCO)CCO
InChI
InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2
InChIKey
NZKTVPCPQIEVQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disperse Black 9
CAS: 20721-50-0
CID: 88669
Formula: C16H20N4O2
MW: 300.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.36
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass300.15862589
Monoisotopic Mass300.15862589
Topological Polar Surface Area94.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity318
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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