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

CAS: 880-78-4 Cat. No.: P160414 Formule: C₆F₅NO₂ Poids moléculaire: 213.06 Numéro CE: 212-915-4 PubChem CID: 70154

GRADE & PURITY ≥97%(GC)

Synonyms

EN300-25869 | P1228 | Pentafluoronitrobenzene, 98% | H2E9EAQ44S | 1,2,3,4,5-Pentafluoro-6-nitrobenzene | 1,2,3,4,5-pentafluoro-6-nitro-benzene | FT-0633068 | 2,3,4,5,6-Pentafluoronitrobenzene | Pentafluoronitrobenzene | Benzene, 1,2,3,4,5-pentafluoro-6-ni

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Electron attachment to pentafluoronitrobenzene has been studied in the energy range 0-16eV by means of a crossed electron-molecular beam experiment with mass spectrometric detection of the anions. The electroreduction of pentafluoronitrobenzene in dimethylformamide solution results in the formation of the dimer, octafluoro-4,4′-dinitro-biphenyl.

Application：
Pentafluoronitrobenzene has been used in the preparation of p-azidotetrafluoroaniline, a new photoaffinity reagent.

Specifications

Synonymes

EN300-25869 | P1228 | Pentafluoronitrobenzene, 98% | H2E9EAQ44S | 1,2,3,4,5-Pentafluoro-6-nitrobenzene | 1,2,3,4,5-pentafluoro-6-nitro-benzene | FT-0633068 | 2,3,4,5,6-Pentafluoronitrobenzene | Pentafluoronitrobenzene | Benzene, 1,2,3,4,5-pentafluoro-6-ni

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

488184489

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

70154

Poids moléculaire

213.06

Reaxy-Rn

1883097

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.45
• Point d'éclair (°F): 195.8 °F
• Point d'éclair (°C): 91°C(lit.)
• Point d'ébullition (°C): 160°C
• Poids moléculaire: 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

Foire aux questions

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.