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

CAS: 101-80-4 Cat. No.: D104464 Formule: C₁₂H₁₂N₂O Poids moléculaire: 200.24 Beilstein Registry Number: 475735 Numéro 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

Vue d’ensemble

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

Synonymes

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-

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

528759407

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

BY7900000

Numéro ONU

3077

Groupe d'emballage

III

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

Discover Target: PPARG

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

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Cibles associées (non humaines)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Easily soluble in hydrochloric acid, insoluble in water.
• Sensibilité: Moisture sensitive.
• Point d'éclair (°F): 426.2 °F
• Point d'éclair (°C): 219 °C
• Point d'ébullition (°C): 190°/0.1mm
• Point de fusion (°C): 190-194°C
• Poids moléculaire: 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