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

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

Storage

Room temperature

Shipped In

Normal

Grade

Biological Stain

Names and Identifiers

• Pubchem Sid: 488185732
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185732
• Canonical 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
• 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
• 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

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

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

Chemical and Physical Properties

• Melt Point(°C): 222°C
• Molecular Weight: 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

References

1. Yusen Meng, Yuqing Qiao, Haifeng Zhou, Jingye Li, Bowu Zhang.  (2022)  A promising scalable route to construct GO-based laminate membranes for antifouling ultrafiltration.  Materials Advances,  3  (10): (4369-4380).  [PMID:] [10.1039/D1MA01111A]

2. Jingting Su, Hui Lu, Fang Wang, Yu Lu, Ruohu Zhang, Jun Xiao, Yiping Cui, Li Zhu.  (2021)  High-efficient, broad-spectrum and recyclable mesoporous TiO2 adsorbent for water treatment.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2021.111345]

3. Jingting Su, Junyi Xia, Huijun Liang, Jun Xiao, Ruohu Zhang, Shuhong Xu, Li Zhu.  (2024)  Advanced quasi-2D amorphous TiOx-Au photocatalyst: Harnessing defects and carriers transport to boost visible-light organic pollutants degradation.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2024.103871]

4. Lingli Zhang, Yilin Yu, Xinyi Zhu, Liping Song, Yu Zhao, Lei Jiang, Xiaoyu Zhao, Bihu Lv, Yixuan Sun, Youju Huang.  (2024)  Tailorable janus plasmonic SERS platform with hotspots integrating and analytes enriching property for multiple sensing.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2024.135721]