1-Cyanovinyl Acetate (stabilized with TBC) - ≥97%(GC) , CAS No.3061-65-2

CAS: 3061-65-2 Cat. No.: C153479 Peso molecular: 111.1 Beilstein Registry Number: 3(3)684 Número EC: 221-303-6

GRADE & PURITY ≥97%(GC)

Synonyms

1-Cyanovinyl Acetate (stabilized with TBC) | 1-Cyanovinyl acetate | alpha-Acetoxyacrylonitrile | 2-Acetoxyacrylonitrile | 2-Propenenitrile, 2-(acetyloxy)- | 1-cyanoethenyl acetate | 1-Acetoxy-1-cyanoethylene

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1-Cyanovinyl Acetate (stabilized with TBC) | 1-Cyanovinyl acetate | alpha-Acetoxyacrylonitrile | 2-Acetoxyacrylonitrile | 2-Propenenitrile, 2-(acetyloxy)- | 1-cyanoethenyl acetate | 1-Acetoxy-1-cyanoethylene

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488182456
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182456
• Sonrisas canónicas: CC(=O)OC(=C)C#N
• IUPAC Name: 1-cyanoethenyl acetate
• InChIKey: LFSHREXVLSTLFB-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
• Isómeros SMILES: CC(=O)OC(=C)C#N
• RTECS: AG4550000
• Peso molecular: 111.1
• Beilstein: 3(3)684
• Reaxy-Rn: 1751158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751158&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Enol esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Enol esters
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enol ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl 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

• Sensibilidad: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°C): 69°C(lit.)
• Punto de ebullición (°C): 173°C(lit.)
• Peso molecular: 111.100 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 111.032 Da
• Monoisotopic Mass: 111.032 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 163.000
• 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