1,1-Bis(4-cyanatophenyl)ethane - ≥98% , CAS No.47073-92-7

CAS: 47073-92-7 Cat. No.: B695110 Peso molecular: 264.28 Número EC: 405-740-1 PubChem CID: 93247

GRADE & PURITY ≥98%

Synonyms

4,4'-(Ethane-1,1-diyl)bis(cyanatobenzene)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4, 4'-(Ethane-1, 1-diyl)bis(cyanatobenzene)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• ALogP: 4.6

Nombres e identificadores

• Sonrisas canónicas: CC(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N
• IUPAC Name: [4-[1-(4-cyanatophenyl)ethyl]phenyl] cyanate
• InChIKey: SIZDMAYTWUINIG-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
• Isómeros SMILES: CC(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N
• PubChem CID: 93247
• Peso molecular: 264.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenoxy compounds Cyanates Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenoxy compound - Organic cyanate - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• Peso molecular: 264.280 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.09 Da
• Monoisotopic Mass: 264.09 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 351.000
• 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

1. Yikun Sun, Xujian Xu, Tingran Zhang, Yaoxian Song, Yiwei He, Xinyu Li, Bo Niu, Qixin Zhuang, Donghui Long.  (2026)  Low-Temperature Curing of Cyanate Ester with High Thermal Stability via a Dual-Primary-Amine Catalyst.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c04551]