alpha-(Trifluoromethyl)-gamma-butyrolactone - ≥95% , CAS No.174744-18-4

CAS: 174744-18-4 Cat. No.: A354224 Peso molecular: 154.09 Número EC: 806-654-0

GRADE & PURITY ≥95%

Synonyms

AKOS026675541 | 2(3H)-Furanone, dihydro-3-(trifluoromethyl)- | E72876 | MFCD00798462 | DTXSID90370082 | ALPHA-TRIFLUOROMETHYL-BETA-BUTYROLACTONE | 3-(trifluoromethyl)oxolan-2-one | alpha-(Trifluoromethyl)-gamma-butyrolactone | Z1255383468 | QNGJRLKMHRKJJL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS026675541 | 2(3H)-Furanone, dihydro-3-(trifluoromethyl)- | E72876 | MFCD00798462 | DTXSID90370082 | ALPHA-TRIFLUOROMETHYL-BETA-BUTYROLACTONE | 3-(trifluoromethyl)oxolan-2-one | alpha-(Trifluoromethyl)-gamma-butyrolactone | Z1255383468 | QNGJRLKMHRKJJL

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: C1COC(=O)C1C(F)(F)F
• IUPAC Name: 3-(trifluoromethyl)oxolan-2-one
• InChIKey: QNGJRLKMHRKJJL-UHFFFAOYSA-N
• INCHI: 1S/C5H5F3O2/c6-5(7,8)3-1-2-10-4(3)9/h3H,1-2H2
• Isómeros SMILES: C1COC(=O)C1C(F)(F)F
• Peso molecular: 154.09
• Reaxy-Rn: 7474634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7474634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• 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

• Peso molecular: 154.090 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 154.024 Da
• Monoisotopic Mass: 154.024 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1