2-Bromo-2′,5′-dimethoxyacetophenone - ≥97% , CAS No.1204-21-3

CAS: 1204-21-3 Cat. No.: B166474 Fórmula: C₁₀H₁₁BrO₃ Peso molecular: 259.1 Número CE: 214-873-2

GRAU & PUREZA ≥97%

Synonyms

2-Bromo-1-(2,5-dimethoxyphenyl)ethanone # | CHEBI:77070 | Enoxacinum | 2,5-Dimethoxyphenacyl bromide | EINECS 214-873-2 | J-004334 | .ALPHA.-BROMO-2,5-DIMETHOXYACETOPHENONE | 2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one | 4-Ethoxy-2-methyl-5-(4-morpholinyl)

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-Bromo-1-(2,5-dimethoxyphenyl)ethanone # | CHEBI:77070 | Enoxacinum | 2,5-Dimethoxyphenacyl bromide | EINECS 214-873-2 | J-004334 | .ALPHA.-BROMO-2,5-DIMETHOXYACETOPHENONE | 2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one | 4-Ethoxy-2-methyl-5-(4-morpholinyl)

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488184633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184633

Sorrisos canónicos

COC1=CC(=C(C=C1)OC)C(=O)CBr

IUPAC Name

2-bromo-1-(2,5-dimethoxyphenyl)ethanone

InChIKey

RGQNFYVSEWDUEI-UHFFFAOYSA-N

INCHI

1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3

SMILES isoméricas

COC1=CC(=C(C=C1)OC)C(=O)CBr

WGK Alemanha

3

Peso molecular

259.1

Reaxy-Rn

2094627

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094627&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ether - Alkyl halide - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 83-85°C
• Peso molecular: 259.100 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.989 Da
• Monoisotopic Mass: 257.989 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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

Perguntas frequentes

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.

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 1204-21-3, the molecular formula is C10H11BrO3, and the molecular weight is 259.1 g/mol. InChIKey RGQNFYVSEWDUEI-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.