GRADE & PURITY ≥97%

Synonyms

STL554419 | AMY17963 | SY063954 | DTXSID20375747 | SY344551 | 2,2-difluorocyclopropanemethanol | 2,2-Difluoro-cyclopropanemethanol | Cyclopropanemethanol, 2,2-difluoro- | EN300-59739 | (2,2-difluorocyclopropyl)methanol | (2,2-difluoro-cyclopropyl)-methano

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

2,2-Difluorocyclopropanemethanol is used as an intermediate in the preparation of (2,2-difluorocyclopropyl)methylamine. It is also used as a reagent in the synthesis of pyrrolopyridine derivatives, which finds application as an antiviral agent.

Specifications

Sinónimos

STL554419 | AMY17963 | SY063954 | DTXSID20375747 | SY344551 | 2, 2-difluorocyclopropanemethanol | 2, 2-Difluoro-cyclopropanemethanol | Cyclopropanemethanol, 2, 2-difluoro- | EN300-59739 | (2, 2-difluorocyclopropyl)methanol | (2, 2-difluoro-cyclopropyl)-methano

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761603
• Sonrisas canónicas: C1C(C1(F)F)CO
• IUPAC Name: (2,2-difluorocyclopropyl)methanol
• InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
• INCHI: 1S/C4H6F2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
• Isómeros SMILES: C1C(C1(F)F)CO
• Peso molecular: 108.09
• Reaxy-Rn: 9254463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9254463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

• Punto de ebullición (°C): 129°C
• Peso molecular: 108.090 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 108.039 Da
• Monoisotopic Mass: 108.039 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 81.800
• 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