4,4′-Diaminodiphenyl ether - analytical standard , CAS No.101-80-4

CAS: 101-80-4 Cat. No.: D104464 Fórmula: C₁₂H₁₂N₂O Peso molecular: 200.24 Beilstein Registry Number: 475735 Número CE: 202-977-0

GRADE & PURITY Analytical standard

Synonyms

ODA | 4,4'-Oxydiphenylamine | E76010 | Oxydi-p-phenylenediamine | p,p'-Oxydianiline | Z56775415 | 4,4'-Oxydianiline, analytical standard | NSC6089 | NSC-6089 | Oxybis(4-aminobenzene) | Tox21_202035 | CHEBI:34384 | Dadpe | UNII-28DLB4Z70T | EINECS 202-977-

Storage

Room temperature

Shipped In

Normal

Visão geral

Slightly soluble in water, slightly soluble in ethanol.Low toxicity; median lethal dose (rat, oral administration) is 725 mg/kg.There is a potential carcinogenic risk.Irritating.1. It is one of the key raw materials for new types of special engineering plastics, such as polyimide, polyetherimide, polyesterimide, poly马来imide, and polyarylamide, which are high-temperature resistant resins; 2.It also serves as the raw material for synthesizing 3,3 ',4,4' -tetraamino diphenyl ether, which is the primary monomer for preparing a series of aromatic heterocyclic heat-resistant polymer materials.3. It also serves as a raw material and cross-linking agent for high-performance heat-resistant epoxy resins, polyurethanes, and other synthetic polymers.4. It is also used as an alternative to carcinogenic benzidine in the production of azo dyes, reactive dyes, and fragrances.Currently, using diamino diphenyl ether as the raw material, direct dyes in various color grades—including deep red, bright red, sand red, yellow-brown, green, gray, blue, bright orange, and black—have been developed. These dyes are suitable for dyeing fabrics such as silk, wool, cotton, and linen, demonstrating superior color fastness and dye removal efficiency compared to benzidine dyes.

Specifications

Sinónimos

ODA | 4,4'-Oxydiphenylamine | E76010 | Oxydi-p-phenylenediamine | p,p'-Oxydianiline | Z56775415 | 4,4'-Oxydianiline, analytical standard | NSC6089 | NSC-6089 | Oxybis(4-aminobenzene) | Tox21_202035 | CHEBI:34384 | Dadpe | UNII-28DLB4Z70T | EINECS 202-977-

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528759407

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759407

Sorrisos canónicos

C1=CC(=CC=C1N)OC2=CC=C(C=C2)N

IUPAC Name

4-(4-aminophenoxy)aniline

InChIKey

HLBLWEWZXPIGSM-UHFFFAOYSA-N

INCHI

1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2

SMILES isoméricas

C1=CC(=CC=C1N)OC2=CC=C(C=C2)N

WGK Alemanha

3

RTECS

BY7900000

Número UN

3077

Grupo de embalagem

III

Peso molecular

200.24

Beilstein

475735

Reaxy-Rn

475735

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475735&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: aromatic ether

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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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Lymphoblastoid cell (5959 Activities)

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Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Easily soluble in hydrochloric acid, insoluble in water.
• Sensibilidade: Moisture sensitive.
• Ponto de inflamação (°F): 426.2 °F
• Ponto de inflamação (°C): 219 °C
• Ponto de ebulição (°C): 190°/0.1mm
• Ponto de fusão (°C): 190-194°C
• Peso molecular: 200.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.095 Da
• Monoisotopic Mass: 200.095 Da
• Topological Polar Surface Area: 61.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• 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