1-Ethynyl-2,4-difluorobenzene - ≥97% , CAS No.302912-34-1

CAS: 302912-34-1 Cat. No.: E156343 Fórmula: C₈H₄F₂ Peso molecular: 138.12 Número EC: 629-222-1

GRADE & PURITY ≥97%

Synonyms

E1169 | 8FS | EN300-103707 | F8886-6515 | AKOS010651580 | 1-Ethynyl-2,4-difluorobenzene | 1-ethynyl-2,4-difluoro-benzene | 1ethynyl-2,4-difluorobenzene | A18602 | MFCD02093726 | J-017882 | 1-Ethynyl-2,4-difluorobenzene, 97% | T72256 | DTXSID40407953 | 1-e

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

1-Ethynyl-2,4-difluorobenzene is an alkyne bearing fluoro group in the phenyl ring.

Application：

1-Ethynyl-2,4-difluorobenzene (CM) may be used to synthesize sulfonatedpoly(aryleneether)s containing CM and TFP [4-[Trifluorovinyl(oxy)]phenol].It may also be employed for the preparation of 4-(2,4-difluorophenylethynyl)-3-methyl-5-phenylisoxazole.

Specifications

Sinónimos

E1169 | 8FS | EN300-103707 | F8886-6515 | AKOS010651580 | 1-Ethynyl-2,4-difluorobenzene | 1-ethynyl-2,4-difluoro-benzene | 1ethynyl-2,4-difluorobenzene | A18602 | MFCD02093726 | J-017882 | 1-Ethynyl-2,4-difluorobenzene, 97% | T72256 | DTXSID40407953 | 1-e

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 508807288
• Sonrisas canónicas: C#CC1=C(C=C(C=C1)F)F
• IUPAC Name: 1-ethynyl-2,4-difluorobenzene
• InChIKey: HRUJQXRGWQWYDH-UHFFFAOYSA-N
• INCHI: 1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
• Isómeros SMILES: C#CC1=C(C=C(C=C1)F)F
• WGK Alemania: 3
• Número ONU: 1325
• Grupo de embalaje: III
• Peso molecular: 138.12
• Reaxy-Rn: 9900672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9900672&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de inflamación (°F): 91.4 °F
• Punto de inflamación (°C): 33 °C
• Punto de ebullición (°C): 50 °C/20 mmHg
• Punto de fusión (°C): 27 °C
• Peso molecular: 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