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Bismarck Brown R - Biological stain, high purity , CAS No.5421-66-9

4 Citations

COA

Grade & Purity:

Biological Stain

Cas Number: 5421-66-9
Molecular Weight: 461.39
Beilstein Registry Number: 1829673
EC Number: 226-541-4
MDL number: MFCD00036386
PubChem CID: 79459
PubChem SID: 488185732

In stock

Item Number

B106031

Grouped product items
SKU	Size	Availability	Price
B106031-25g	25g	3	$26.90
B106031-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$96.90
B106031-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$432.90

Basic Description

Synonyms	EINECS 226-541-4 \| BISMARK BROWN 53 \| 1HAD3F3XM9 \| 5,5'-[(4-Methyl-m-phenylene)bis(azo)]bis[toluene-2,4-diamine] dihydrochloride \| Bismarck Brown R, for microscopy (Bact., Hist.) \| C.I. Basic Brown 4, dihydrochloride \| BISMARK BROWN R [MI] \| UNII-1HAD3F3X
Specifications & Purity	Biological stain
Shipped In	Normal
Grade	Biological Stain

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azobenzenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azobenzenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azobenzenes
Alternative Parents	Aniline and substituted anilines Aminotoluenes Azo compounds Propargyl-type 1,3-dipolar organic compounds Primary amines Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Azobenzene - Aminotoluene - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Benzenoid - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Organic salt - Organic chloride salt - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488185732
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185732
IUPAC Name	4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride
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
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
Isomeric 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
WGK Germany	3
PubChem CID	79459
Molecular Weight	461.39
Beilstein	1829673

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2006095	Certificate of Analysis	May 09, 2024	B106031
I1501072	Certificate of Analysis	May 06, 2023	B106031
B2317073	Certificate of Analysis	Feb 22, 2023	B106031

Chemical and Physical Properties

Melt Point(°C)	222°C
Molecular Weight	461.400 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	460.166 Da
Monoisotopic Mass	460.166 Da
Topological Polar Surface Area	154.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	581.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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