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

CAS: 531-85-1 Cat. No.: B108447 Formule: C₁₂H₁₂N₂·2HCl Poids moléculaire: 257.16 Beilstein Registry Number: 3914846 Numéro CE: 208-519-6 PubChem CID: 10754

QUALITÉ & PURETÉ 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

Vue d’ensemble

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.

Spécifications

Synonymes

[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]

Spécifications et pureté

AR, ≥99%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

AR

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488181180

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

DD0600000

PubChem CID

10754

Poids moléculaire

257.16

Beilstein

3914846

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water, ethanol, and 0.2N HCl (50 mg/ml).
• Sensibilité: Light sensitive.
• Indice de réfraction: 1.67
• Point de fusion (°C): >300°C
• Poids moléculaire: 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