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

CAS: 531-85-1 Cat. No.: B108447 分子式: C₁₂H₁₂N₂·2HCl 分子量: 257.16 Beilstein Registry Number: 3914846 EC番号: 208-519-6 PubChem CID: 10754

グレード＆純度 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

概要

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.

仕様

同義語

[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]

仕様と純度

AR, ≥99%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

AR

純度

≥99%

名前と識別子

パブケム・シド

488181180

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

DD0600000

PubChem CID

10754

分子量

257.16

Beilstein

3914846

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water, ethanol, and 0.2N HCl (50 mg/ml).
• 感度: Light sensitive.
• 屈折率: 1.67
• 融点（°C）: >300°C
• 分子量: 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