Benzidine - ≥98% , CAS No.92-87-5

CAS: 92-87-5 Cat. No.: B108444 Fórmula: C₁₂H₁₂N₂ Peso molecular: 184.24 Número EC: 202-199-1

CALIDAD & PUREZA ≥98%

Synonyms

BENZIDINE|92-87-5|4,4'-Diaminobiphenyl|p-Diaminodiphenyl|[1,1'-Biphenyl]-4,4'-diamine|biphenyl-4,4'-diamine|4,4'-Bianiline|4-(4-aminophenyl)aniline|4,4'-Biphenyldiamine|4,4'-Diaminodiphenyl|4,4'-Biphenylenediamine|4,4'-Diphenylenediamine|p,p'-Diaminobiphe

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

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

BENZIDINE | 92-87-5 | 4,4'-Diaminobiphenyl | p-Diaminodiphenyl | [1,1'-Biphenyl]-4,4'-diamine | biphenyl-4,4'-diamine | 4,4'-Bianiline | 4-(4-aminophenyl)aniline | 4,4'-Biphenyldiamine | 4,4'-Diaminodiphenyl | 4,4'-Biphenylenediamine | 4,4'-Diphenylenediamine | p,p'-Diaminobiphe

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Initiates tumors in the bladder under experimental conditions

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488180295

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180295

Sonrisas canónicas

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

IUPAC Name

4-(4-aminophenyl)aniline

InChIKey

HFACYLZERDEVSX-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

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

Número ONU

1885

Grupo de embalaje

II

Peso molecular

184.24

Reaxy-Rn

742770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742770&ln=

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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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: biphenyls

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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

Discover Target: RACGAP1

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Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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L6 (7924 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (0.32 mg/ml at 25 °C), DMSO, methanol, alcohol, and ether.
• Sensibilidad: Light sensitive.
• Punto de ebullición (°C): 400°C
• Punto de fusión (°C): 128°C
• Peso molecular: 184.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.1 Da
• Monoisotopic Mass: 184.1 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 14
• 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: 1