1-Ethyl-4-vinylbenzene - ≥98%, stabilized with MEHQ , CAS No.3454-07-7

CAS: 3454-07-7 Cat. No.: E693676 Summenformel: C₁₀H₁₂ Molekulargewicht: 132.2 EG-Nummer: 222-381-4 PubChem CID: 18940

GRADE & PURITY ≥98%, stabilized with MEHQ

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%, stabilized with MEHQ

Storage

Room temperature

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.5

Namen und Kennungen

• Kanonisches Lächeln: CCC1=CC=C(C=C1)C=C
• IUPAC Name: 1-ethenyl-4-ethylbenzene
• InChIKey: WHFHDVDXYKOSKI-UHFFFAOYSA-N
• INCHI: 1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3
• Isomere SMILES: CCC1=CC=C(C=C1)C=C
• PubChem CID: 18940
• Molekulargewicht: 132.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 132.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 132.094 Da
• Monoisotopic Mass: 132.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 96.600
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3454-07-7, the molecular formula is C10H12, and the molecular weight is 132.2 g/mol. InChIKey WHFHDVDXYKOSKI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.