2-ブロモフェナシルブロマイド - ≥97% , CAS No.49851-55-0

CAS: 49851-55-0 Cat. No.: B151941 分子式: C₈H₆Br₂O 分子量: 277.94 EC番号: 689-312-1

GRADE & PURITY ≥97%

Synonyms

2-Bromo-2'-bromoacetophenone | bromphenacyl bromide | EN300-01887 | MFCD00044660 | CK2304 | DTXSID10372109 | SCHEMBL166468 | B4124 | 2-bromo-1-(2-bromophenyl)ethanone | 2-Bromo-1-(2-bromo-phenyl)-ethanone | 2-bromo-1-(2-bromophenyl)-ethanone | 2-Bromo-1-(

Storage

Argon charged,Room temperature

Shipped In

ノーマル

概要

2,2'-ジブロモアセトフェノンは、抗けいれん薬として4-フェニルチアゾール-2(3H)-オン誘導体の調製に使用される。

Specifications

同義語

2-Bromo-2'-bromoacetophenone | bromphenacyl bromide | EN300-01887 | MFCD00044660 | CK2304 | DTXSID10372109 | SCHEMBL166468 | B4124 | 2-bromo-1-(2-bromophenyl)ethanone | 2-Bromo-1-(2-bromo-phenyl)-ethanone | 2-bromo-1-(2-bromophenyl)-ethanone | 2-Bromo-1-(

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

• パブケム・シド: 488192904
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192904
• カノニカル・スマイル: C1=CC=C(C(=C1)C(=O)CBr)Br
• IUPAC Name: 2-bromo-1-(2-bromophenyl)ethanone
• InChIKey: LAXPJIJQTHJGCK-UHFFFAOYSA-N
• INCHI: 1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
• 異性体SMILES: C1=CC=C(C(=C1)C(=O)CBr)Br
• 分子量: 277.94
• Reaxy-Rn: 386753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386753&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 Bromobenzenes Aryl bromides Vinylogous halides Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous halide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Organobromide - Organohalogen compound - 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; Moisture sensitive
• 屈折率: 1.6100 to 1.6140
• 引火点（°C）: 108 °C
• 沸点（°C）: 100°C/1.5mmHg
• 分子量: 277.940 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 277.876 Da
• Monoisotopic Mass: 275.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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

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 should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 49851-55-0, the molecular formula is C8H6Br2O, and the molecular weight is 277.94 g/mol. InChIKey LAXPJIJQTHJGCK-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.