1-Nitro-2-vinyl-benzene - ≥98%,stabilized with TBC , CAS No.579-71-5

CAS: 579-71-5 Cat. No.: N698063 Peso molecular: 149.15 Número EC: 818-052-5

GRADE & PURITY ≥98%, stabilized with TBC

Synonyms

2-Nitrostyrene (stabilized with TBC) | 1-Ethenyl-2-nitrobenzene (stabilized with TBC) | 2-Nitrostyrene(stabilized with TBC) | o-Nitrostyrene (stabilized with TBC)

Storage

Protected from light,Store at -20°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Nitrostyrene (stabilized with TBC) | 1-Ethenyl-2-nitrobenzene (stabilized with TBC) | 2-Nitrostyrene(stabilized with TBC) | o-Nitrostyrene (stabilized with TBC)

Especificaciones y pureza

≥98%, stabilized with TBC

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°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%

Nombres e identificadores

• Sonrisas canónicas: C=CC1=CC=CC=C1[N+](=O)[O-]
• IUPAC Name: 1-ethenyl-2-nitrobenzene
• InChIKey: VKVLTUQLNXVANB-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H2
• Isómeros SMILES: C=CC1=CC=CC=C1[N+](=O)[O-]
• Peso molecular: 149.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Styrenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Styrene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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；heat sensitive
• Punto de inflamación (°F): 233.6°F
• Punto de inflamación (°C): 112 °C
• Punto de ebullición (°C): 62 °C/0.1 mmHg
• Peso molecular: 149.150 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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