2-Fluorofenilacetilene - ≥97%(GC) , CAS No.766-49-4

CAS: 766-49-4 Cat. No.: E135295 Formula: C₈H₅F Peso molecolare: 120.13 Numero EC: 626-528-7

GRADE & PURITY ≥97%(GC)

Synonyms

EN300-96280 | 2'-fluorophenylacetylene | 2-Fluorophenylacetylene | 2-fluoro-phenylacetylene | SCHEMBL114436 | Z1080385538 | 2-fluorophenylethyne | 1-ethynyl-2-fluorobenzene | 1-ethynyl-2-fluoro-benzene | InChI=1/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6 | PS-9228

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

l'1-etinil-2-fluorobenzene, un derivato fluorurato del benzene, è un alchene terminale.

l'1-Etinil-2-fluorobenzene è stato impiegato nell'accoppiamento incrociato di fenilacetileni. Può essere utilizzato nella preparazione di 3-(2-deossi-β-D-ribofuranosil)-6-(2-fluorofenil)-2,3-diidrofuro-2,3-dpirimidin-2-one e 4-(2-fluorofeniletil)-3-metil-5-fenilisossazolo.

Specifications

Sinonimi

EN300-96280 | 2'-fluorophenylacetylene | 2-Fluorophenylacetylene | 2-fluoro-phenylacetylene | SCHEMBL114436 | Z1080385538 | 2-fluorophenylethyne | 1-ethynyl-2-fluorobenzene | 1-ethynyl-2-fluoro-benzene | InChI=1/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6 | PS-9228

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 504759735
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759735
• Sorrisi canonici: C#CC1=CC=CC=C1F
• IUPAC Name: 1-ethynyl-2-fluorobenzene
• InChIKey: YFPQIXUNBPQKQR-UHFFFAOYSA-N
• INCHI: 1S/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
• Isomeri SMILES: C#CC1=CC=CC=C1F
• WGK Germania: 3
• Peso molecolare: 120.13
• Reaxy-Rn: 2553289
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2553289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Acetylides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Acetylide - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.526 (lit.)
• Punto di infiammabilità (°F): 98.6 °F
• Punto di infiammabilità (°C): 37°C(lit.)
• Punto di ebollizione (°C): 150 °C (lit.)
• Peso molecolare: 120.120 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.038 Da
• Monoisotopic Mass: 120.038 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 131.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 766-49-4, the molecular formula is C8H5F, and the molecular weight is 120.13 g/mol. InChIKey YFPQIXUNBPQKQR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.