trans-2-Fluorocyclopropanecarboxylic acid - ≥97% , CAS No.130340-04-4

CAS: 130340-04-4 Cat. No.: T586937 Peso molecular: 104.08 Número EC: 852-135-7

GRADE & PURITY ≥97%

Synonyms

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)- | trans-2-Fluorocyclopropane-1-carboxylic acid | (1R-trans)-2-Fluoro-cyclopropanecarboxylic acid | (1S,2R)-2-Fluorocyclopropanecarboxylic acid | (1S,2R)-2-Fluorocyclopropanecarboxylicacid | A857584 | MFCD27

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

Cyclopropanecarboxylic acid, 2-fluoro-, (1S, 2R)- | trans-2-Fluorocyclopropane-1-carboxylic acid | (1R-trans)-2-Fluoro-cyclopropanecarboxylic acid | (1S, 2R)-2-Fluorocyclopropanecarboxylic acid | (1S, 2R)-2-Fluorocyclopropanecarboxylicacid | A857584 | MFCD27

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(C1F)C(=O)O
• IUPAC Name: (1S,2R)-2-fluorocyclopropane-1-carboxylic acid
• InChIKey: HZQKMZGKYVDMCT-PWNYCUMCSA-N
• INCHI: 1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3-/m1/s1
• Isómeros SMILES: C1[C@H]([C@@H]1F)C(=O)O
• CAS alternativo: 130340-04-4
• Peso molecular: 104.08
• Reaxy-Rn: 6591719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6591719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane 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

• Peso molecular: 104.080 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 104.027 Da
• Monoisotopic Mass: 104.027 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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