Ethyl 2-(4-bromophenyl)-2,2-difluoroacetate - ≥98% , CAS No.1004305-97-8

CAS: 1004305-97-8 Cat. No.: E178701 Summenformel: C₁₀H₉BrF₂O₂ Molekulargewicht: 279.1 EG-Nummer: 975-263-6

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1172128 | 2-(4-bromophenyl)-2,2-difluoroacetic acid ethyl ester | ETHYL 2-(4-BROMOPHENYL)-2,2-DIFLUOROACETATE | Ethyl2-(4-bromophenyl)-2,2-difluoroacetate | F12737 | Ethyl (4-bromophenyl)(difluoro)acetate | 1004305-97-8 | Benzeneacetic acid, 4-brom

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL1172128 | 2-(4-bromophenyl)-2,2-difluoroacetic acid ethyl ester | ETHYL 2-(4-BROMOPHENYL)-2,2-DIFLUOROACETATE | Ethyl2-(4-bromophenyl)-2,2-difluoroacetate | F12737 | Ethyl (4-bromophenyl)(difluoro)acetate | 1004305-97-8 | Benzeneacetic acid, 4-brom

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C(C1=CC=C(C=C1)Br)(F)F
• IUPAC Name: ethyl 2-(4-bromophenyl)-2,2-difluoroacetate
• InChIKey: PUGCVZGUQPOVQF-UHFFFAOYSA-N
• INCHI: 1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
• Isomere SMILES: CCOC(=O)C(C1=CC=C(C=C1)Br)(F)F
• Molekulargewicht: 279.1
• Reaxy-Rn: 11526145
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11526145&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: 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: Bromobenzene - Aryl bromide - Aryl halide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organobromide - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 279.080 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 277.975 Da
• Monoisotopic Mass: 277.975 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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

Häufig gestellte Fragen

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.

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 1004305-97-8, the molecular formula is C10H9BrF2O2, and the molecular weight is 279.1 g/mol. InChIKey PUGCVZGUQPOVQF-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.