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Bismarck Brown R

CAT: 0804-HY-D0386Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D0386Size:1 Each
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Description
Bismarck Brown R is a basic dyes[1].
CAS Number
5421-66-9
UNSPSC
12171500
Hazard Statement
H303
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/bismarck-brown-r.html
Solubility
10 mM in DMSO
Smiles
NC1=CC(N)=C(C=C1C)/N=N/C2=CC=C(C)C(/N=N/C3=C(N)C=C(N)C(C)=C3)=C2.Cl.Cl
Molecular Formula
C21H26Cl2N8
Molecular Weight
461.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Bushra Fatima, et al. Green synthesis of f-CdWO4 for photocatalytic degradation and adsorptive removal of Bismarck Brown R dye from water. Water Resources and Industry. Volume 22, December 2019, 100119.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Basic Brown 4
CAS Number5421-66-9
PubChem CID79459
IUPAC Name4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride
Molecular FormulaC21H26Cl2N8
Molecular Weight461.4
Topological Polar Surface Area154
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity581
SMILES
CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)N)N)N=NC3=C(C=C(C(=C3)C)N)N.Cl.Cl
InChI
InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H
InChIKey
WLKAMFOFXYCYDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Basic Brown 4
CAS: 5421-66-9
CID: 79459
Formula: C21H26Cl2N8
MW: 461.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass460.1657483
Monoisotopic Mass460.1657483
Topological Polar Surface Area154 Ų
Heavy Atom Count31
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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