Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate - ≥95% , CAS No.1226808-72-5

CAS: 1226808-72-5 Cat. No.: E180443 Fórmula: C₁₁H₁₁BrF₂O₂ Peso molecular: 293.1 Número CE: 880-257-0

GRADE & PURITY ≥95%

Synonyms

ETHYL 2-(5-BROMO-2-METHYLPHENYL)-2,2-DIFLUOROACETATE | AKOS015834787 | DTXSID00681999 | 1226808-72-5 | MFCD16295090 | Ethyl (5-bromo-2-methylphenyl)(difluoro)acetate | Ethyl2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate | Benzeneacetic acid, 5-bromo-alpha

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ETHYL 2-(5-BROMO-2-METHYLPHENYL)-2,2-DIFLUOROACETATE | AKOS015834787 | DTXSID00681999 | 1226808-72-5 | MFCD16295090 | Ethyl (5-bromo-2-methylphenyl)(difluoro)acetate | Ethyl2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate | Benzeneacetic acid, 5-bromo-alpha

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCOC(=O)C(C1=C(C=CC(=C1)Br)C)(F)F
• IUPAC Name: ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
• InChIKey: BPPFUEMXTDPKSJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11BrF2O2/c1-3-16-10(15)11(13,14)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3
• SMILES isoméricas: CCOC(=O)C(C1=C(C=CC(=C1)Br)C)(F)F
• Peso molecular: 293.1
• Reaxy-Rn: 42315190
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42315190&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Toluenes Aryl bromides Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Bromobenzene - Aryl bromide - Aryl halide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organobromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Peso molecular: 293.100 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.991 Da
• Monoisotopic Mass: 291.991 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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 ≥95% 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 1226808-72-5, the molecular formula is C11H11BrF2O2, and the molecular weight is 293.1 g/mol. InChIKey BPPFUEMXTDPKSJ-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.