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

CAS: 509072-57-5 Cat. No.: D122937 Formula: C₄H₆F₂O Peso molecolare: 108.09 Numero EC: 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

Normale

Panoramica

Applicazione del prodotto:

il 2,2-difluorociclopropanemetanolo è utilizzato come intermedio nella preparazione della (2,2-difluorociclopropil)metilammina. Viene inoltre utilizzato come reagente nella sintesi di derivati della pirrolopiridina, che trova applicazione come agente antivirale.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504761603

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

C1C(C1(F)F)CO

Peso molecolare

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
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 129°C
• Peso molecolare: 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