Benzidine dihydrochloride - AR, ≥99% , CAS No.531-85-1

CAS: 531-85-1 Cat. No.: B108447 Fórmula: C₁₂H₁₂N₂·2HCl Peso molecular: 257.16 Beilstein Registry Number: 3914846 Número EC: 208-519-6 PubChem CID: 10754

CALIDAD & PUREZA AR, ≥99%

Synonyms

[1,1'-Biphenyl]-4,4'-diamine, dihydrochloride | NCGC00260133-01 | W-204227 | Dihidrocloruro de benzidina | Benzidine dihydrochloride, for experimental carcinogenesis, >=99.0% | Benzidine.2HCl | Q26841199 | NSC 3500 | Dihidrocloruro de benzidina [Spanish]

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Descripción general

Benzidine dihydrochloride is a biaryl tumor promoter compound described in the induction of carcinogenesis in model organisms.
Benzidine (4,4′-Diaminobiphenyl) is an environmental genotoxin that posses increased risks of cancer to exposed people. Benzidine may be used as a reference material in procedures that analyze for benzidine. Benzidine can be used in studies on its mechanisms of genotoxicity.

Especificaciones

Sinónimos

[1,1'-Biphenyl]-4,4'-diamine, dihydrochloride | NCGC00260133-01 | W-204227 | Dihidrocloruro de benzidina | Benzidine dihydrochloride, for experimental carcinogenesis, >=99.0% | Benzidine.2HCl | Q26841199 | NSC 3500 | Dihidrocloruro de benzidina [Spanish]

Especificaciones y pureza

AR, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

AR

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488181180

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181180

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl

IUPAC Name

4-(4-aminophenyl)aniline;dihydrochloride

InChIKey

RUAXWVDEYJEWRY-UHFFFAOYSA-N

INCHI

1S/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H

Isómeros SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl

WGK Alemania

3

RTECS

DD0600000

PubChem CID

10754

Peso molecular

257.16

Beilstein

3914846

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water, ethanol, and 0.2N HCl (50 mg/ml).
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.67
• Punto de fusión (°C): >300°C
• Peso molecular: 257.160 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.053 Da
• Monoisotopic Mass: 256.053 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 145.000
• 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