2'-Hydroxy-5'-(trifluoromethoxy)acetophenone - ≥98% , CAS No.146575-64-6

CAS: 146575-64-6 Cat. No.: H131749 Formule: C₉H₇F₃O₃ Poids moléculaire: 220.15 Numéro CE: 642-598-1

GRADE & PURITY ≥98%

Synonyms

FT-0643395 | 1-(2-Hydroxy-5-(trifluoromethoxy)phenyl)ethanone | 1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethan-1-one | A808524 | 2'-Hydroxy-5'-(trifluoromethoxy)acetophenone | 2-Hydroxy-5-(trifluoromethoxy)acetophenone | 1-[2-hydroxy-5-(trifluoromethoxy)ph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0643395 | 1-(2-Hydroxy-5-(trifluoromethoxy)phenyl)ethanone | 1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethan-1-one | A808524 | 2'-Hydroxy-5'-(trifluoromethoxy)acetophenone | 2-Hydroxy-5-(trifluoromethoxy)acetophenone | 1-[2-hydroxy-5-(trifluoromethoxy)ph

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

IUPAC Name

1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone

InChIKey

FYWYHQOZXGAPSF-UHFFFAOYSA-N

INCHI

1S/C9H7F3O3/c1-5(13)7-4-6(2-3-8(7)14)15-9(10,11)12/h2-4,14H,1H3

Isomères SMILES

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

Poids moléculaire

220.15

Reaxy-Rn

13246868

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13246868&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 4-alkoxyphenols Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - 4-alkoxyphenol - Acetophenone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Trihalomethane - Hydrocarbon derivative - Halomethane - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - 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: 220.140 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.035 Da
• Monoisotopic Mass: 220.035 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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 146575-64-6, the molecular formula is C9H7F3O3, and the molecular weight is 220.15 g/mol. InChIKey FYWYHQOZXGAPSF-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.