Benzidine - analytical standard, for environmental analysis , CAS No.92-87-5

CAS: 92-87-5 Cat. No.: B123889 Formule: C₁₂H₁₂N₂ Poids moléculaire: 184.24 Numéro CE: 202-199-1

QUALITÉ & PURETÉ Analytical standard, for Environmental analysis

Synonyms

A844372 | MFCD00039765 | Tox21_300405 | Benzidine, 95% | Benzydyna | BBL013163 | Benzioine | BIPHENYL,4,4'-DIAMINO | Biphenyl,4,4'-diamino- | PHENYLBUTAZONE IMPURITY E [EP IMPURITY] | Benzidin [Czech] | NCGC00259908-01 | RCRA waste no. U021 | 4-13-00-0036

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

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

A844372 | MFCD00039765 | Tox21_300405 | Benzidine, 95% | Benzydyna | BBL013163 | Benzioine | BIPHENYL,4,4'-DIAMINO | Biphenyl,4,4'-diamino- | PHENYLBUTAZONE IMPURITY E [EP IMPURITY] | Benzidin [Czech] | NCGC00259908-01 | RCRA waste no. U021 | 4-13-00-0036

Spécifications et pureté

analytical standard, for environmental analysis

Mécanismes biochimiques et physiologiques

Tumor initiator in mammalian liver and urinary bladder.

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Analytical standard, for Environmental analysis

Noms et identifiants

Pubchem Sid

504751248

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751248

Sourires canoniques

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

Isomères SMILES

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

Numéro ONU

1885

Groupe d'emballage

II

Poids moléculaire

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
    • 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 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
• 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: 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

Cibles associées (humaines)

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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Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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L6 (7924 Activities)

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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.32 mg/ml at 25 °C), DMSO, methanol, alcohol, and ether.
• Sensibilité: Light sensitive.
• Point d'ébullition (°C): 400°C
• Point de fusion (°C): 128°C
• Poids moléculaire: 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