Pentafluoronitrobenceno - ≥97%(GC) , CAS No.880-78-4

CAS: 880-78-4 Cat. No.: P160414 Fórmula: C₆F₅NO₂ Peso molecular: 213.06 Número EC: 212-915-4 PubChem CID: 70154

GRADE & PURITY ≥97%(GC)

Synonyms

EN300-25869 | P1228 | Pentafluoronitrobenceno, 98% | H2E9EAQ44S | 1,2,3,4,5-Pentafluoro-6-nitrobenceno | 1,2,3,4,5-pentafluoro-6-nitrobenceno | FT-0633068 | 2,3,4,5,6-Pentafluoronitrobenceno | Pentafluoronitrobenceno | Benceno, 1,2,3,4,5-pentafluoro-6-ni

Storage

Room temperature

Shipped In

Normal

Descripción general

Se ha estudiado la unión de electrones al pentafluoronitrobenceno en el intervalo de energía 0-16eV mediante un experimento de haz molecular de electrones cruzados con detección de los aniones por espectrometría de masas. La electrorreducción del pentafluoronitrobenceno en solución de dimetilformamida da lugar a la formación del dímero, octafluoro-4,4′-dinitro-bifenilo.

Aplicación：
El pentafluoronitrobenceno se ha utilizado en la preparación de p-azidotetrafluoroanilina, un nuevo reactivo de fotoafinidad.

Specifications

Sinónimos

EN300-25869 | P1228 | Pentafluoronitrobenceno, 98% | H2E9EAQ44S | 1,2,3,4,5-Pentafluoro-6-nitrobenceno | 1,2,3,4,5-pentafluoro-6-nitrobenceno | FT-0633068 | 2,3,4,5,6-Pentafluoronitrobenceno | Pentafluoronitrobenceno | Benceno, 1,2,3,4,5-pentafluoro-6-ni

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488184489

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184489

Sonrisas canónicas

C1(=C(C(=C(C(=C1F)F)F)F)F)[N+](=O)[O-]

IUPAC Name

1,2,3,4,5-pentafluoro-6-nitrobenzene

InChIKey

INUOFQAJCYUOJR-UHFFFAOYSA-N

INCHI

1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

Isómeros SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)[N+](=O)[O-]

WGK Alemania

3

PubChem CID

70154

Peso molecular

213.06

Reaxy-Rn

1883097

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: Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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

• Índice de refracción: 1.45
• Punto de inflamación (°F): 195.8 °F
• Punto de inflamación (°C): 91°C(lit.)
• Punto de ebullición (°C): 160°C
• Peso molecular: 213.060 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 212.985 Da
• Monoisotopic Mass: 212.985 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 880-78-4, the molecular formula is C6F5NO2, and the molecular weight is 213.06 g/mol. InChIKey INUOFQAJCYUOJR-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.