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

CAS: 92-87-5 Cat. No.: B123889 Summenformel: C₁₂H₁₂N₂ Molekulargewicht: 184.24 EG-Nummer: 202-199-1

QUALITÄT & REINHEIT 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

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Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

analytical standard, for environmental analysis

Biochemische und physiologische Mechanismen

Tumor initiator in mammalian liver and urinary bladder.

Storage

Room temperature

Verschickt in

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Note

Analytischer Standard, für die Umweltanalyse

Namen und Kennungen

Pubchem Sid

504751248

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

UN-Nummer

1885

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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

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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)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (0.32 mg/ml at 25 °C), DMSO, methanol, alcohol, and ether.
• Empfindlichkeit: Light sensitive.
• Siedepunkt (°C): 400°C
• Schmelzpunkt (°C): 128°C
• Molekulargewicht: 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