1-(4-Bromophenyl)-2-hydroxyethan-1-one - ≥95% , CAS No.3343-45-1

CAS: 3343-45-1 Cat. No.: B1073433 分子式: C₈H₇BrO₂ 分子量: 215.05 EC番号: 874-688-3 PubChem CID: 520633

GRADE & PURITY ≥95%

Synonyms

4’-Bromo-2-hydroxyacetophenone | 1-(4-bromophenyl)-2-hydroxyethanone

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

4’-Bromo-2-hydroxyacetophenone | 1-(4-bromophenyl)-2-hydroxyethanone

仕様と純度

≥95%

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

≥95%

名前と識別子

カノニカル・スマイル

C1=CC(=CC=C1C(=O)CO)Br

IUPAC Name

1-(4-bromophenyl)-2-hydroxyethanone

InChIKey

FGROGLJVXNYNQC-UHFFFAOYSA-N

INCHI

1S/C8H7BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2

異性体SMILES

C1=CC(=CC=C1C(=O)CO)Br

PubChem CID

520633

分子量

215.05

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 Bromobenzenes Aryl bromides Alpha-hydroxy ketones Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Hydrocarbon derivative - Organic oxide - Alcohol - Organohalogen compound - Organobromide - Primary alcohol - 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

• 感度: Light sensitive
• 融点（°C）: 140-143
• 分子量: 215.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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