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

CAS: 47073-92-7 Cat. No.: B695110 Molecular Weight: 264.28 EC Number: 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

Synonyms

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: 4.6

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N
• PubChem CID: 93247
• Molecular Weight: 264.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

References

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]