벤지딘 디하이드로클로라이드 - AR, ≥99% , CAS No.531-85-1

CAS: 531-85-1 Cat. No.: B108447 분자식: C₁₂H₁₂N₂·2HCl 분자량: 257.16 Beilstein Registry Number: 3914846 EC 번호: 208-519-6 PubChem CID: 10754

등급 & 순도 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

빛으로부터 보호

Shipped In

보통

개요

벤지딘 디하이드로클로라이드는 모델 유기체에서 발암을 유도하는 비아릴 종양 촉진제 화합물입니다.
벤지딘(4,4′-다이아미노비페닐)은 노출된 사람에게 암 발생 위험을 증가시키는 환경 유전독소입니다. 벤지딘은 벤지딘을 분석하는 절차에서 참고 자료로 사용될 수 있습니다. 벤지딘은 유전 독성 메커니즘에 대한 연구에 사용될 수 있습니다.

사양

동의어

[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]

사양 및 순도

AR, ≥99%

보관 조건

빛으로부터 보호

배송

보통

등급

AR

순수함

≥99%

이름과 식별자

Pubchem Sid

488181180

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

DD0600000

PubChem CID

10754

분자량

257.16

Beilstein

3914846

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water, ethanol, and 0.2N HCl (50 mg/ml).
• 감도: Light sensitive.
• 굴절률: 1.67
• 녹는점(°C): >300°C
• 분자량: 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