2′-Fluoro-5′-methylacetophenone - ≥97% , CAS No.446-07-1

CAS: 446-07-1 Cat. No.: F338194 Formula: C₉H₉FO Peso molecolare: 152.17 Numero EC: 670-256-1

QUALITÀ & PUREZZA ≥97%

Synonyms

1-(2-fluoro-5-methylphenyl)ethan-1-one | 2'-Fluoro-5'-methylacetophenone | 2-FLUORO-5-METHYLACETOPHENONE | CK1152 | DTXSID30372020 | AKOS000299227 | 2 inverted exclamation mark -Fluoro-5 inverted exclamation mark -methylacetophenone | MFCD00236680 | Ethan

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

1-(2-fluoro-5-methylphenyl)ethan-1-one | 2'-Fluoro-5'-methylacetophenone | 2-FLUORO-5-METHYLACETOPHENONE | CK1152 | DTXSID30372020 | AKOS000299227 | 2 inverted exclamation mark -Fluoro-5 inverted exclamation mark -methylacetophenone | MFCD00236680 | Ethan

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488192891

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192891

Sorrisi canonici

CC1=CC(=C(C=C1)F)C(=O)C

IUPAC Name

1-(2-fluoro-5-methylphenyl)ethanone

InChIKey

DNDPUIGGUBKRQB-UHFFFAOYSA-N

INCHI

1S/C9H9FO/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5H,1-2H3

Isomeri SMILES

CC1=CC(=C(C=C1)F)C(=O)C

Peso molecolare

152.17

Reaxy-Rn

1937024

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937024&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Toluenes Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 75-79°/0.7mm
• Peso molecolare: 152.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.064 Da
• Monoisotopic Mass: 152.064 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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

Domande frequenti

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 446-07-1, the molecular formula is C9H9FO, and the molecular weight is 152.17 g/mol. InChIKey DNDPUIGGUBKRQB-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.