3,4-Difluorophenylacetylene - ≥90% , CAS No.143874-13-9

CAS: 143874-13-9 Cat. No.: D167294 Formule: C₈H₄F₂ Poids moléculaire: 138.11 Numéro CE: 624-937-5

GRADE & PURITY ≥90%

Synonyms

3,4-Di Fluoro Phenyl Acetylene | MFCD08059511 | SY035470 | J-007878 | FT-0666851 | 4-Ethynyl-1,2-difluorobenzene | 4-Ethynyl-1,2-difluoro-Benzene | 3,4-Difluorophenylacetylene | C8H4F2 | 1-ethynyl-3,4-difluorobenzene | E1349 | PS-9093 | 3,4-Difluorophenyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

3,4-Di Fluoro Phenyl Acetylene | MFCD08059511 | SY035470 | J-007878 | FT-0666851 | 4-Ethynyl-1,2-difluorobenzene | 4-Ethynyl-1,2-difluoro-Benzene | 3,4-Difluorophenylacetylene | C8H4F2 | 1-ethynyl-3,4-difluorobenzene | E1349 | PS-9093 | 3,4-Difluorophenyl

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥90%

Noms et identifiants

• Pubchem Sid: 488198547
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198547
• Sourires canoniques: C#CC1=CC(=C(C=C1)F)F
• IUPAC Name: 4-ethynyl-1,2-difluorobenzene
• InChIKey: XFPAOXIWRDDQGG-UHFFFAOYSA-N
• INCHI: 1S/C8H4F2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
• Isomères SMILES: C#CC1=CC(=C(C=C1)F)F
• Poids moléculaire: 138.11
• Reaxy-Rn: 11270473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11270473&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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Indice de réfraction: 1.5
• Point d'éclair (°F): 7°C(lit.)
• Point d'éclair (°C): 7°C(lit.)
• Poids moléculaire: 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: 156.000
• 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