2'-Fluoro-5'-nitroacetophenone - ≥97% , CAS No.79110-05-7

CAS: 79110-05-7 Cat. No.: F186647 Fórmula: C₈H₆FNO₃ Peso molecular: 183.1 Número EC: 639-356-2

GRADE & PURITY ≥97%

Synonyms

2'-Fluoro-5'-nitroacetophenone | 1-(2-fluoro-5-nitrophenyl)ethan-1-one | STL554228 | DS-1648 | BCP18512 | AKOS005254352 | MFCD00277867 | AC-26551 | J-503012 | FT-0648053 | DTXSID70381732 | SY021875 | 2 inverted exclamation mark -Fluoro-5 inverted exclamat

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2'-Fluoro-5'-nitroacetophenone | 1-(2-fluoro-5-nitrophenyl)ethan-1-one | STL554228 | DS-1648 | BCP18512 | AKOS005254352 | MFCD00277867 | AC-26551 | J-503012 | FT-0648053 | DTXSID70381732 | SY021875 | 2 inverted exclamation mark -Fluoro-5 inverted exclamat

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193845
• Sonrisas canónicas: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
• IUPAC Name: 1-(2-fluoro-5-nitrophenyl)ethanone
• InChIKey: BCXOSCQTHVTUET-UHFFFAOYSA-N
• INCHI: 1S/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
• Isómeros SMILES: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
• Peso molecular: 183.1
• Reaxy-Rn: 3544202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3544202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Nitrobenzenes Acetophenones Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous halides 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: Alkyl-phenylketone - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

• Punto de fusión (°C): 52 °C
• Peso molecular: 183.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.033 Da
• Monoisotopic Mass: 183.033 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 226.000
• 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?

This product is supplied at ≥97% purity (chemical assay). 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 79110-05-7, the molecular formula is C8H6FNO3, and the molecular weight is 183.1 g/mol. InChIKey BCXOSCQTHVTUET-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.