1-Ethynyl-3,5-difluorobenzene - ≥97% , CAS No.151361-87-4

CAS: 151361-87-4 Cat. No.: E167456 Summenformel: C₈H₄F₂ Molekulargewicht: 138.11 EG-Nummer: 626-084-4

GRADE & PURITY ≥97%

Synonyms

SCHEMBL314317 | 1-ETHYNYL-3 5-DIFLUOROBENZENE 97 | BENZENE, 1-ETHYNYL-3,5-DIFLUORO- | DTXSID40400843 | 1-Ethynyl-3,5-difluorobenzene, 97% | AB17470 | SY064680 | A18231 | FT-0646925 | J-008804 | 3,5-Difluorophenylacetylene | DS-13345 | E1352 | 1-ETHYNYL-3

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

SCHEMBL314317 | 1-ETHYNYL-3 5-DIFLUOROBENZENE 97 | BENZENE, 1-ETHYNYL-3,5-DIFLUORO- | DTXSID40400843 | 1-Ethynyl-3,5-difluorobenzene, 97% | AB17470 | SY064680 | A18231 | FT-0646925 | J-008804 | 3,5-Difluorophenylacetylene | DS-13345 | E1352 | 1-ETHYNYL-3

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504762922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762922
• Kanonisches Lächeln: C#CC1=CC(=CC(=C1)F)F
• IUPAC Name: 1-ethynyl-3,5-difluorobenzene
• InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
• INCHI: 1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
• Isomere SMILES: C#CC1=CC(=CC(=C1)F)F
• WGK Deutschland: 3
• Molekulargewicht: 138.11
• Reaxy-Rn: 6643179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6643179&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air & heat sensitive
• Brechungsindex: 1.49
• Flammpunkt (°F): 91.4 °F
• Flammpunkt (°C): 33 °C
• Siedepunkt (°C): 123-124°C
• Molekulargewicht: 138.110 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.028 Da
• Monoisotopic Mass: 138.028 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 146.000
• 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