4,4-Difluoropentanoic acid - ≥98% , CAS No.125110-82-9

CAS: 125110-82-9 Cat. No.: D586779 Peso molecular: 138.11 Número EC: 847-469-5

GRADE & PURITY ≥98%

Synonyms

BS-52560 | IMDBVJNJIGOFTM-UHFFFAOYSA-O | Z316121454 | SY178211 | D86382 | A1-44476 | SCHEMBL764869 | MFCD09806700 | 4,4-difluoropentanoic acid | IMDBVJNJIGOFTM-UHFFFAOYSA-N | AKOS000160811 | EN300-39297 | 4,4-difluoropentanoicacid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BS-52560 | IMDBVJNJIGOFTM-UHFFFAOYSA-O | Z316121454 | SY178211 | D86382 | A1-44476 | SCHEMBL764869 | MFCD09806700 | 4, 4-difluoropentanoic acid | IMDBVJNJIGOFTM-UHFFFAOYSA-N | AKOS000160811 | EN300-39297 | 4, 4-difluoropentanoicacid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(CCC(=O)O)(F)F
• IUPAC Name: 4,4-difluoropentanoic acid
• InChIKey: IMDBVJNJIGOFTM-UHFFFAOYSA-N
• INCHI: 1S/C5H8F2O2/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H,8,9)
• Isómeros SMILES: CC(CCC(=O)O)(F)F
• Peso molecular: 138.11
• Reaxy-Rn: 6134190
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6134190&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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: 138.110 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 138.049 Da
• Monoisotopic Mass: 138.049 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 112.000
• 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