5′-Fluoro-2′-methoxyacetophenone - ≥97% , CAS No.445-82-9

CAS: 445-82-9 Cat. No.: F170404 分子式: C₉H₉FO₂ 分子量: 168.16 EC番号: 622-743-5

GRADE & PURITY ≥97%

Synonyms

STK288945 | 1-(5-FLUORO-2-METHOXYPHENYL)-1-ETHANONE | DTXSID40372011 | FS-1583 | Z54601918 | SY025576 | 1-(5-fluoro-2-methoxyphenyl)ethan-1-one | CNVGMLMIQIPAFY-UHFFFAOYSA-N | 5'-Fluoro-2'-methoxyacetophenone | 5-FLUORO-2-METHOXYACETOPHENONE | VT1216 | BB

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

STK288945 | 1-(5-FLUORO-2-METHOXYPHENYL)-1-ETHANONE | DTXSID40372011 | FS-1583 | Z54601918 | SY025576 | 1-(5-fluoro-2-methoxyphenyl)ethan-1-one | CNVGMLMIQIPAFY-UHFFFAOYSA-N | 5'-Fluoro-2'-methoxyacetophenone | 5-FLUORO-2-METHOXYACETOPHENONE | VT1216 | BB

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

504761366

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504761366

カノニカル・スマイル

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

IUPAC Name

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

InChIKey

CNVGMLMIQIPAFY-UHFFFAOYSA-N

INCHI

1S/C9H9FO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3

異性体SMILES

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

WGKドイツ

3

分子量

168.16

Reaxy-Rn

1943174

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943174&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: >230 °F
• 引火点（°C）: >110 °C
• 分子量: 168.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.059 Da
• Monoisotopic Mass: 168.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 170.000
• 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

よくある質問

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 445-82-9, the molecular formula is C9H9FO2, and the molecular weight is 168.16 g/mol. InChIKey CNVGMLMIQIPAFY-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.