4′-(4-Fluorobenzyloxy)-3′-nitroacetophenone - ≥97% , CAS No.175136-24-0

CAS: 175136-24-0 Cat. No.: F343224 Peso molecular: 289.26

GRADE & PURITY ≥97%

Synonyms

A811752 | MFCD00173872 | 1-{4-[(4-fluorophenyl)methoxy]-3-nitrophenyl}ethan-1-one | 1-{4-[(4-Fluorobenzyl)oxy]-3-nitrophenyl}-1-ethanone | FT-0616625 | 1-(4-(4-fluorobenzyloxy)-3-nitrophenyl)ethanone | J-503178 | Ethanone, 1-[4-[(4-fluorophenyl)methoxy]-3

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A811752 | MFCD00173872 | 1-{4-[(4-fluorophenyl)methoxy]-3-nitrophenyl}ethan-1-one | 1-{4-[(4-Fluorobenzyl)oxy]-3-nitrophenyl}-1-ethanone | FT-0616625 | 1-(4-(4-fluorobenzyloxy)-3-nitrophenyl)ethanone | J-503178 | Ethanone, 1-[4-[(4-fluorophenyl)methoxy]-3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761361
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761361
• Sonrisas canónicas: CC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)[N+](=O)[O-]
• IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
• InChIKey: XMYCVHFGYFJOJX-UHFFFAOYSA-N
• INCHI: 1S/C15H12FNO4/c1-10(18)12-4-7-15(14(8-12)17(19)20)21-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
• Isómeros SMILES: CC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)[N+](=O)[O-]
• Peso molecular: 289.26
• Reaxy-Rn: 57094502
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57094502&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: Nitrophenyl ethers Acetophenones Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Nitrophenyl ether - Acetophenone - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen 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): 105-107°C
• Peso molecular: 289.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 289.075 Da
• Monoisotopic Mass: 289.075 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 376.000
• 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