3',5'-Difluoro-2'-idrossiacetofenone - ≥97% , CAS No.140675-42-9

CAS: 140675-42-9 Cat. No.: D137462 Formula: C₈H₆F₂O₂ Peso molecolare: 172.13 Numero EC: 642-673-9

QUALITÀ & PUREZZA ≥97%

Synonyms

Ethanone,1-(3,5-difluoro-2-hydroxyphenyl)- | SY185051 | Z979488388 | EN300-69032 | FT-0614584 | 3',5'-DIFLUORO-2'-HYDROXYACETOPHENONE | 3,5-difluoro-2-hydroxyacetophenone | DTXSID10371738 | MFCD00042476 | PS-8674 | W-205544 | 1-(3,5-difluoro-2-hydroxyphen

Storage

Room temperature

Shipped In

Normale

Specifiche

Sinonimi

Ethanone,1-(3,5-difluoro-2-hydroxyphenyl)- | SY185051 | Z979488388 | EN300-69032 | FT-0614584 | 3',5'-DIFLUORO-2'-HYDROXYACETOPHENONE | 3,5-difluoro-2-hydroxyacetophenone | DTXSID10371738 | MFCD00042476 | PS-8674 | W-205544 | 1-(3,5-difluoro-2-hydroxyphen

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488192852

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192852

Sorrisi canonici

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

IUPAC Name

1-(3,5-difluoro-2-hydroxyphenyl)ethanone

InChIKey

MCDJUVXLLXTCFP-UHFFFAOYSA-N

INCHI

1S/C8H6F2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

Isomeri SMILES

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

Peso molecolare

172.13

Reaxy-Rn

5808776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5808776&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 P-fluorophenols O-fluorophenols Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous acids Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 4-halophenol - 2-halophenol - 2-fluorophenol - 4-fluorophenol - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Phenol - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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

• Peso molecolare: 172.130 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.034 Da
• Monoisotopic Mass: 172.034 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• 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

How should this product be stored?

Store at room temperature.

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 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 140675-42-9, the molecular formula is C8H6F2O2, and the molecular weight is 172.13 g/mol. InChIKey MCDJUVXLLXTCFP-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.