1,4-Bis(4-aminophenoxy)benzene - ≥98% , CAS No.3491-12-1

CAS: 3491-12-1 Cat. No.: B133811 Peso molecular: 292.34 Número EC: 677-976-5

GRADE & PURITY ≥98%

Synonyms

FT-0606784 | JCRRFJIVUPSNTA-UHFFFAOYSA- | Oprea1_095445 | 1,4-bis(p-aminophenoxy)benzene | AKOS003242083 | Benzenamine, 4,4'-(1,4-phenlenebis(oxy))bis- | CCRIS 6685 | EU-0066968 | 4,4'-(p-Phenylenedioxy)dianiline | InChI=1/C18H16N2O2/c19-13-1-5-15(6-2-13)

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

FT-0606784 | JCRRFJIVUPSNTA-UHFFFAOYSA- | Oprea1_095445 | 1, 4-bis(p-aminophenoxy)benzene | AKOS003242083 | Benzenamine, 4, 4'-(1, 4-phenlenebis(oxy))bis- | CCRIS 6685 | EU-0066968 | 4, 4'-(p-Phenylenedioxy)dianiline | InChI=1/C18H16N2O2/c19-13-1-5-15(6-2-13)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1N)OC2=CC=C(C=C2)OC3=CC=C(C=C3)N
• IUPAC Name: 4-[4-(4-aminophenoxy)phenoxy]aniline
• InChIKey: JCRRFJIVUPSNTA-UHFFFAOYSA-N
• INCHI: 1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2
• Isómeros SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)OC3=CC=C(C=C3)N
• RTECS: BY8237000
• Peso molecular: 292.34
• Reaxy-Rn: 422398
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=422398&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Soluble in Dimethylformamide
• Sensibilidad: Air sensitive
• Punto de inflamación (°C): 267.8ºC
• Punto de ebullición (°C): 483.6ºC at 760mmHg
• Punto de fusión (°C): 173.0 to 177.0 ℃
• Peso molecular: 292.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 292.121 Da
• Monoisotopic Mass: 292.121 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 283.000
• 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

Referencias

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