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

CAS: 5421-66-9 Cat. No.: B106031 Formula: C₂₁H₂₄N₈ · 2HCl Peso molecolare: 461.39 Beilstein Registry Number: 1829673 Numero EC: 226-541-4 PubChem CID: 79459

GRADE & PURITY Biological Stain

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

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

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

Specifiche e purezza

Biological Stain

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Biological Stain

Nomi e identificatori

Pubchem Sid

488185732

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185732

Sorrisi canonici

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

IUPAC Name

4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride

InChIKey

WLKAMFOFXYCYDK-UHFFFAOYSA-N

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

Isomeri 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 Germania

3

PubChem CID

79459

Peso molecolare

461.39

Beilstein

1829673

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Data sources

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 222°C
• Peso molecolare: 461.400 g/mol
• 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 Ų
• 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

XLogP3