2-Methoxyphenyl Trifluoromethanesulfonate - ≥98%(GC) , CAS No.59099-58-0

CAS: 59099-58-0 Cat. No.: M158722 Peso molecular: 256.2 Número EC: 811-831-0

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS030228752 | 2-methoxyphenyl trifluoromethanesulfonate | Trifluoromethanesulfonic Acid 2-Methoxyphenyl Ester | Methanesulfonic acid, trifluoro-, 2-methoxyphenyl ester | M2792 | AS-69899 | MFCD25541795 | SCHEMBL5599606 | DTXSID00472465 | 2-Methoxyphenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS030228752 | 2-methoxyphenyl trifluoromethanesulfonate | Trifluoromethanesulfonic Acid 2-Methoxyphenyl Ester | Methanesulfonic acid, trifluoro-, 2-methoxyphenyl ester | M2792 | AS-69899 | MFCD25541795 | SCHEMBL5599606 | DTXSID00472465 | 2-Methoxyphenyl

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488197726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197726
• Sonrisas canónicas: COC1=CC=CC=C1OS(=O)(=O)C(F)(F)F
• IUPAC Name: (2-methoxyphenyl) trifluoromethanesulfonate
• InChIKey: RCDZTJFBROIDKD-UHFFFAOYSA-N
• INCHI: 1S/C8H7F3O4S/c1-14-6-4-2-3-5-7(6)15-16(12,13)8(9,10)11/h2-5H,1H3
• Isómeros SMILES: COC1=CC=CC=C1OS(=O)(=O)C(F)(F)F
• Peso molecular: 256.2
• Reaxy-Rn: 2335007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2335007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Trifluoromethanesulfonates Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Trifluoromethanesulfonate - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Halomethane - Organic oxide - Alkyl halide - Alkyl fluoride - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Índice de refracción: 1.46
• Punto de inflamación (°C): 126 °C
• Punto de ebullición (°C): 116°C/17mmHg(lit.)
• Peso molecular: 256.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 256.002 Da
• Monoisotopic Mass: 256.002 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 319.000
• 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