4-Cyanostyrene - ≥97%, contains stabilizers , CAS No.3435-51-6

CAS: 3435-51-6 Cat. No.: C478980 Molecular Weight: 129.16 EC Number: 678-723-1

GRADE & PURITY ≥97%, contains stabilizers

Synonyms

A822186 | Benzonitrile, 4-ethenyl- | 4-Cyanostyrene, AldrichCPR | FT-0618312 | p-Cyanostyrene | D76989 | 4-Cyanostyrene | 4-Ethenylbenzonitrile | AS-56582 | Benzonitrile, p-vinyl- | SCHEMBL13333326 | AKOS025116713 | DTXSID60187922 | SCHEMBL127502 | EN300-

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Product Application:

4-Cyanostyrene is used as an intermediate in organic synthesis. It is used in the preparation of poly(4-cyanostyrene) polymer , which is a macromolecular device having nanoscale order and finds a wide range of potential applications.

Specifications

Synonyms

A822186 | Benzonitrile, 4-ethenyl- | 4-Cyanostyrene, AldrichCPR | FT-0618312 | p-Cyanostyrene | D76989 | 4-Cyanostyrene | 4-Ethenylbenzonitrile | AS-56582 | Benzonitrile, p-vinyl- | SCHEMBL13333326 | AKOS025116713 | DTXSID60187922 | SCHEMBL127502 | EN300-

Specifications & Purity

≥97%, contains stabilizers

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

≥97%

Names and Identifiers

• Pubchem Sid: 504755125
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755125
• Canonical Smiles: C=CC1=CC=C(C=C1)C#N
• IUPAC Name: 4-ethenylbenzonitrile
• InChIKey: SNTUCKQYWGHZPK-UHFFFAOYSA-N
• INCHI: 1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2
• Isomeric SMILES: C=CC1=CC=C(C=C1)C#N
• Molecular Weight: 129.16
• Reaxy-Rn: 1856509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1856509&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Styrenes Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

• Solubility: Immiscible with water.
• Boil Point(°C): 92-93°/3mm
• Molecular Weight: 129.160 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 129.058 Da
• Monoisotopic Mass: 129.058 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 155.000
• 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. Wei Zhu, Jing-Yi Tang, Dong Yu, Ai-Guo Shen.  (2022)  Silent Raman imaging of highly effective anti-bacterial activity synchronous with biofilm breakage using poly(4-cyanostyrene)@silver@polylysine nanocomposites.  ANALYST,  148  (3): (628-635).  [PMID:36602005] [10.1039/D2AN01831D]