Methyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate - ≥95% , CAS No.35480-31-0

CAS: 35480-31-0 Cat. No.: M690635 Peso molecular: 332.20

GRADE & PURITY ≥95%

Synonyms

METHYL2,5-DI(2,2,2-TRIFLUOROETHOXY)BENZOATE | METHYL2,5-DI(TRIFLUOROETHOXY)BENZOATE | METHYL2,5-BIS(TRIFLUOROETHOXY)BENZOATE | Methyl2,5-di(2,2,2-trifluoroethoxy)benzoate | Benzoicacid,2,5-bis(2,2,2-trifluoroethoxy)-,methylester

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

METHYL2, 5-DI(2, 2, 2-TRIFLUOROETHOXY)BENZOATE | METHYL2, 5-DI(TRIFLUOROETHOXY)BENZOATE | METHYL2, 5-BIS(TRIFLUOROETHOXY)BENZOATE | Methyl2, 5-di(2, 2, 2-trifluoroethoxy)benzoate | Benzoicacid, 2, 5-bis(2, 2, 2-trifluoroethoxy)-, methylester

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F
• IUPAC Name: methyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate
• InChIKey: YLMXTGWAYICZRY-UHFFFAOYSA-N
• INCHI: 1S/C12H10F6O4/c1-20-10(19)8-4-7(21-5-11(13,14)15)2-3-9(8)22-6-12(16,17)18/h2-4H,5-6H2,1H3
• Isómeros SMILES: COC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F
• Peso molecular: 332.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

• Sensibilidad: Hygroscopic
• Peso molecular: 332.190 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 332.048 Da
• Monoisotopic Mass: 332.048 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 368.000
• 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