2,2-Difluorocyclopropanemethanol - ≥97% , CAS No.509072-57-5

CAS: 509072-57-5 Cat. No.: D122937 Summenformel: C₄H₆F₂O Molekulargewicht: 108.09 EG-Nummer: 680-732-0

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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504761603

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761603

Kanonisches Lächeln

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

Isomere SMILES

C1C(C1(F)F)CO

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 129°C
• Molekulargewicht: 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