1,3-Difluoro-2-propanol - ≥98% , CAS No.453-13-4

CAS: 453-13-4 Cat. No.: D736721 Peso molecular: 96.08 Número EC: 207-216-6

GRADE & PURITY ≥98%

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

el 1,3-Difluoro-2-propanol se utilizó en la síntesis de la 1,3-difluoroacetona

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(C(CF)O)F
• IUPAC Name: 1,3-difluoropropan-2-ol
• InChIKey: PVDLUGWWIOGCNH-UHFFFAOYSA-N
• INCHI: 1S/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2
• Isómeros SMILES: C(C(CF)O)F
• WGK Alemania: 3
• RTECS: UB1770000
• Número ONU: 1987
• Grupo de embalaje: III
• Peso molecular: 96.08
• Reaxy-Rn: 1732050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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: 1.373
• Punto de inflamación (°F): 107.6 °F
• Punto de inflamación (°C): 42 °C
• Punto de ebullición (°C): 54-55 °C/34 mmHg
• Peso molecular: 96.080 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 96.0387 Da
• Monoisotopic Mass: 96.0387 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• 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