2-Bromo-4′-fluoroacetophenone - ≥97%(GC) , CAS No.403-29-2

CAS: 403-29-2 Cat. No.: B123244 分子式: FC₆H₄COCH₂Br 分子量: 217.04 Beilstein Registry Number: 637863 EC番号: 206-955-1

GRADE & PURITY ≥97%(GC)

Synonyms

BB 0221162 | 2-Bromo-1-(4-fluorophenyl)ethan-1-one | F0001-1141 | NSC88343 | NSC-88343 | EINECS 206-955-1 | N3PVV2GVQ8 | PD140507 | STK208492 | (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one | DTXSID20193307 | W-106364 | A675

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

BB 0221162 | 2-Bromo-1-(4-fluorophenyl)ethan-1-one | F0001-1141 | NSC88343 | NSC-88343 | EINECS 206-955-1 | N3PVV2GVQ8 | PD140507 | STK208492 | (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one | DTXSID20193307 | W-106364 | A675

仕様と純度

≥97%(GC)

保管条件

Store at 2-8°C,Protected from light

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%(GC)

名前と識別子

• パブケム・シド: 508808313
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/508808313
• カノニカル・スマイル: C1=CC(=CC=C1C(=O)CBr)F
• IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone
• InChIKey: ZJFWCELATJMDNO-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
• 異性体SMILES: C1=CC(=CC=C1C(=O)CBr)F
• WGKドイツ: 3
• 分子量: 217.04
• Beilstein: 637863
• Reaxy-Rn: 637863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637863&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 Aryl fluorides Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organobromide - Organofluoride - Alkyl bromide - 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol.
• 感度: Light & Heat & Moisture sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: >110°(230°F)
• 沸点（°C）: 153 °C/12 mmHg
• 融点（°C）: 45-49°C
• 分子量: 217.030 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.959 Da
• Monoisotopic Mass: 215.959 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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