2-(2-(2,2,2-Trifluoroethoxy)phenoxy)ethyl methanesulfonate - ≥98% , CAS No.160969-03-9

CAS: 160969-03-9 Cat. No.: T191258 Peso molecular: 314.28 Número EC: 801-482-2 PubChem CID: 10519307

GRADE & PURITY ≥98%

Synonyms

A810209 | T3505 | Trifluoroethoxyphenoxy]ethyl methanesulfonate | 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methansulfonate | DTXSID60441213 | SY107776 | AK-87340 | 2-(2-(2,2,2-Trifluoroethoxy)phenoxy)ethylmethanesulfonate | 2-(2-(2,2,2-trifluoroethoxy)ph

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A810209 | T3505 | Trifluoroethoxyphenoxy]ethyl methanesulfonate | 2-[2-(2, 2, 2-trifluoroethoxy)phenoxy]ethyl methansulfonate | DTXSID60441213 | SY107776 | AK-87340 | 2-(2-(2, 2, 2-Trifluoroethoxy)phenoxy)ethylmethanesulfonate | 2-(2-(2, 2, 2-trifluoroethoxy)ph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196695
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196695
• Sonrisas canónicas: CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
• IUPAC Name: 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate
• InChIKey: HOJMCBMXHWZNKX-UHFFFAOYSA-N
• INCHI: 1S/C11H13F3O5S/c1-20(15,16)19-7-6-17-9-4-2-3-5-10(9)18-8-11(12,13)14/h2-5H,6-8H2,1H3
• Isómeros SMILES: CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
• PubChem CID: 10519307
• Peso molecular: 314.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Propiedades químicas y físicas

• Punto de fusión (°C): 54 °C
• Peso molecular: 314.280 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 314.044 Da
• Monoisotopic Mass: 314.044 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 377.000
• 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