Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate - ≥97% , CAS No.1199773-04-0

CAS: 1199773-04-0 Cat. No.: E180045 Summenformel: C₁₀H₈Cl₂F₂O₂ Molekulargewicht: 269.1

GRADE & PURITY ≥97%

Synonyms

AKOS011682264 | ETHYL 2-(2,3-DICHLOROPHENYL)-2,2-DIFLUOROACETATE | Benzeneacetic acid, 2,3-dichloro-alpha,alpha-difluoro-, ethyl ester | DTXSID50681303 | MFCD13195686 | Ethyl2-(2,3-dichlorophenyl)-2,2-difluoroacetate | SCHEMBL23374546 | 1199773-04-0 | Eth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS011682264 | ETHYL 2-(2,3-DICHLOROPHENYL)-2,2-DIFLUOROACETATE | Benzeneacetic acid, 2,3-dichloro-alpha,alpha-difluoro-, ethyl ester | DTXSID50681303 | MFCD13195686 | Ethyl2-(2,3-dichlorophenyl)-2,2-difluoroacetate | SCHEMBL23374546 | 1199773-04-0 | Eth

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C(C1=C(C(=CC=C1)Cl)Cl)(F)F
• IUPAC Name: ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate
• InChIKey: FMQWWLXSJWBVAJ-UHFFFAOYSA-N
• INCHI: 1S/C10H8Cl2F2O2/c1-2-16-9(15)10(13,14)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3
• Isomere SMILES: CCOC(=O)C(C1=C(C(=CC=C1)Cl)Cl)(F)F
• Molekulargewicht: 269.1
• Reaxy-Rn: 23549350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23549350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl chloride - 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 - Organochloride - Organofluoride - Carbonyl group - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: 269.070 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.987 Da
• Monoisotopic Mass: 267.987 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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