3'-Bromoacetophenone - ≥98% , CAS No.2142-63-4

CAS: 2142-63-4 Cat. No.: B106964 分子式: C₈H₇BrO 分子量: 199.04 Beilstein Registry Number: 507599 EC番号: 218-396-0

GRADE & PURITY ≥98%

Synonyms

3`-Bromoacetophenone | NSC46620 | NSC-46620 | 3'-BROMOACETOPHENONE, | 3'-Bromoacetophenone | 3-BROMOACETOPHENONE | EN300-19147 | Ethanone, 1-(3-bromophenyl)- | STR01011 | AKOS000119026 | FT-0615187 | 3-bromo acetophenone | m-Bromoacetophenone | SY001472 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

3`-Bromoacetophenone | NSC46620 | NSC-46620 | 3'-BROMOACETOPHENONE, | 3'-Bromoacetophenone | 3-BROMOACETOPHENONE | EN300-19147 | Ethanone, 1-(3-bromophenyl)- | STR01011 | AKOS000119026 | FT-0615187 | 3-bromo acetophenone | m-Bromoacetophenone | SY001472 |

仕様と純度

≥98%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488182257

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182257

カノニカル・スマイル

CC(=O)C1=CC(=CC=C1)Br

IUPAC Name

1-(3-bromophenyl)ethanone

InChIKey

JYAQYXOVOHJRCS-UHFFFAOYSA-N

INCHI

1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

異性体SMILES

CC(=O)C1=CC(=CC=C1)Br

WGKドイツ

3

分子量

199.04

Beilstein

507599

Reaxy-Rn

507599

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507599&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 Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxide - Hydrocarbon derivative - 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

• 溶解度: Solubility in water: Practically insoluble
• 感度: light & air sensitive
• 融点（°C）: 12 °C
• 屈折率: 1.576
• 引火点（°F）: 114 °C
• 引火点（°C）: 114°C
• 沸点（°C）: 136°C
• 融点（°C）: 8-11°C
• 分子量: 199.040 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.968 Da
• Monoisotopic Mass: 197.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, 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 2142-63-4, the molecular formula is C8H7BrO, and the molecular weight is 199.04 g/mol. InChIKey JYAQYXOVOHJRCS-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.