2,3′-Dibromo-4′-fluoroacetophenone - ≥97% , CAS No.435273-49-7

CAS: 435273-49-7 Cat. No.: D469217 分子式: C₈H₅Br₂FO 分子量: 295.93 EC番号: 623-814-3

グレード＆純度 ≥97%

Synonyms

2,3'-Dibromo-4'-fluoroacetophenone | 2,3'-Dibromo-4-fluoroacetophenone | 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone | 2-Bromo-1-(3-bromo-4-fluoro-phenyl)-ethanone | MFCD07368759 | PS-9974 | SCHEMBL3162903 | AKOS009158095 | NVCNENXQUDVWRV-UHFFFAOYSA-N | SY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

仕様

同義語

2,3'-Dibromo-4'-fluoroacetophenone | 2,3'-Dibromo-4-fluoroacetophenone | 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone | 2-Bromo-1-(3-bromo-4-fluoro-phenyl)-ethanone | MFCD07368759 | PS-9974 | SCHEMBL3162903 | AKOS009158095 | NVCNENXQUDVWRV-UHFFFAOYSA-N | SY

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528755333

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528755333

カノニカル・スマイル

C1=CC(=C(C=C1C(=O)CBr)Br)F

IUPAC Name

2-bromo-1-(3-bromo-4-fluorophenyl)ethanone

InChIKey

NVCNENXQUDVWRV-UHFFFAOYSA-N

INCHI

1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2

異性体SMILES

C1=CC(=C(C=C1C(=O)CBr)Br)F

WGKドイツ

3

分子量

295.93

Reaxy-Rn

13495147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13495147&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: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Benzenoid - Alpha-haloketone - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic oxide - Hydrocarbon derivative - 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
• 融点（°C）: 48-52 °C
• 分子量: 295.930 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 295.867 Da
• Monoisotopic Mass: 293.869 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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