2'-Fluoro-4'-hydroxy-5'-methoxyacetophenone - ≥98% , CAS No.1065076-49-4

CAS: 1065076-49-4 Cat. No.: F179110 Formule: C₉H₉FO₃ Poids moléculaire: 184.2

GRADE & PURITY ≥98%

Synonyms

EN300-7388404 | JTOSXEWSXIZJGX-UHFFFAOYSA-N | 2 inverted exclamation mark -Fluoro-4 inverted exclamation mark -hydroxy-5 inverted exclamation mark -methoxyacetophenone | PS-6620 | 1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethan-1-one | 1-(2-Fluoro-4-hydroxy-5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

EN300-7388404 | JTOSXEWSXIZJGX-UHFFFAOYSA-N | 2 inverted exclamation mark -Fluoro-4 inverted exclamation mark -hydroxy-5 inverted exclamation mark -methoxyacetophenone | PS-6620 | 1-(2-Fluoro-4-hydroxy-5-methoxyphenyl)ethan-1-one | 1-(2-Fluoro-4-hydroxy-5

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC(=O)C1=CC(=C(C=C1F)O)OC
• IUPAC Name: 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)ethanone
• InChIKey: JTOSXEWSXIZJGX-UHFFFAOYSA-N
• INCHI: 1S/C9H9FO3/c1-5(11)6-3-9(13-2)8(12)4-7(6)10/h3-4,12H,1-2H3
• Isomères SMILES: CC(=O)C1=CC(=C(C=C1F)O)OC
• Poids moléculaire: 184.2
• Reaxy-Rn: 21287472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21287472&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: Methoxyphenols Acetophenones Phenoxy compounds Methoxybenzenes M-fluorophenols Benzoyl derivatives Aryl alkyl ketones Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Acetophenone - Phenoxy compound - Anisole - Benzoyl - 3-halophenol - 3-fluorophenol - Phenol ether - Aryl alkyl ketone - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Phenol - Alkyl aryl ether - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Ether - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 184.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.054 Da
• Monoisotopic Mass: 184.054 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 195.000
• 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?

This product is supplied at ≥98% 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 1065076-49-4, the molecular formula is C9H9FO3, and the molecular weight is 184.2 g/mol. InChIKey JTOSXEWSXIZJGX-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.