ο-Tolidine - analytical standard, for environmental analysis, ≥99%(GC) , CAS No.119-93-7

CAS: 119-93-7 Cat. No.: T100412 Fórmula: C₁₄H₁₆N₂ Peso molecular: 212.29 Beilstein Registry Number: 2210640 Número CE: 204-358-0

GRADE & PURITY Analytical standard, for Environmental analysis, ≥99%(GC)

Synonyms

Fast Dark Blue Base R | I-Tolidine | T0255 | UNII-63HLO2IV6K | AMY40780 | 3,3'-Dimethyl-4,4'-diaminobiphenyl | RCRA waste number U095 | DIMETHYLBENZIDINE, 3,3'- | o-Tolidine | 4,4'-Bi-o-toluidine | STL387858 | (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dimethyl-

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Fast Dark Blue Base R | I-Tolidine | T0255 | UNII-63HLO2IV6K | AMY40780 | 3,3'-Dimethyl-4,4'-diaminobiphenyl | RCRA waste number U095 | DIMETHYLBENZIDINE, 3,3'- | o-Tolidine | 4,4'-Bi-o-toluidine | STL387858 | (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dimethyl-

Especificações e pureza

analytical standard, for environmental analysis, ≥99%(GC)

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard, for Environmental analysis

Pureza

≥99%(GC)

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
• IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline
• InChIKey: NUIURNJTPRWVAP-UHFFFAOYSA-N
• INCHI: 1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
• SMILES isoméricas: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
• WGK Alemanha: 3
• Número UN: 3077
• Grupo de embalagem: III
• Peso molecular: 212.29
• Beilstein: 2210640

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Benzidines
          • Level6 3,3'-disubstituted benzidines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Benzidines
• Direct Parent: 3,3'-disubstituted benzidines
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3,3'-disubstituted benzidine - Aminotoluene - Aniline or substituted anilines - Toluene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
• 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

Alvos associados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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

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CXCL8 Tchem Interleukin-8 (642 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 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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Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Ponto de inflamação (°F): 471.2℉
• Ponto de inflamação (°C): 244℃
• Ponto de ebulição (°C): 300.5°C
• Ponto de fusão (°C): 128-131°C
• Peso molecular: 212.290 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.131 Da
• Monoisotopic Mass: 212.131 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 205.000
• 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