Ethyl 2-(4-chloro-2-fluorophenyl)acetate - ≥97% , CAS No.188424-98-8

CAS: 188424-98-8 Cat. No.: E587848 Summenformel: C₁₀H₁₀O₂FCl Molekulargewicht: 216.64

GRADE & PURITY ≥97%

Synonyms

ethyl 4-choro-2-fluorophenylacetate | Benzeneacetic acid, 4-chloro-2-fluoro-, ethyl ester | ethyl 4-chloro-2-fluorophenylacetate | SCHEMBL512637 | A856772 | DTXSID70403862 | ethyl2-(4-chloro-2-fluorophenyl)acetate | BS-41658 | UNWCPRLQLHLRLY-UHFFFAOYSA-N

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

ethyl 4-choro-2-fluorophenylacetate | Benzeneacetic acid, 4-chloro-2-fluoro-, ethyl ester | ethyl 4-chloro-2-fluorophenylacetate | SCHEMBL512637 | A856772 | DTXSID70403862 | ethyl2-(4-chloro-2-fluorophenyl)acetate | BS-41658 | UNWCPRLQLHLRLY-UHFFFAOYSA-N

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508807892
• Kanonisches Lächeln: CCOC(=O)CC1=C(C=C(C=C1)Cl)F
• IUPAC Name: ethyl 2-(4-chloro-2-fluorophenyl)acetate
• InChIKey: UNWCPRLQLHLRLY-UHFFFAOYSA-N
• INCHI: 1S/C10H10ClFO2/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6H,2,5H2,1H3
• Isomere SMILES: CCOC(=O)CC1=C(C=C(C=C1)Cl)F
• Alternative CAS-Nummer: 188424-98-8
• Molekulargewicht: 216.64
• Reaxy-Rn: 3608110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3608110&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: Fluorobenzenes
• Alternative Parents: Chlorobenzenes Aryl fluorides Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms 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: 216.630 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.035 Da
• Monoisotopic Mass: 216.035 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• 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