4-Fluoro-α-methylstyrene (stabilized with TBC) - ≥98%(GC) , CAS No.350-40-3

CAS: 350-40-3 Cat. No.: F156644 Peso molecular: 136.17 Número EC: 206-501-2

GRADE & PURITY ≥98%(GC)

Synonyms

SCHEMBL942232 | NSC 74474 | NSC74474 | NSC-74474 | 4-Fluoroisopropenylbenzene | alpha-Methyl-4-fluorostyrene | 4-fluoro-a-methylstyrene | 1-fluoro-4-(prop-1-en-2-yl)benzene | AM20040253 | AKOS009159134 | 4-Fluoro-alpha-methylstyrene (stabilized with TBC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL942232 | NSC 74474 | NSC74474 | NSC-74474 | 4-Fluoroisopropenylbenzene | alpha-Methyl-4-fluorostyrene | 4-fluoro-a-methylstyrene | 1-fluoro-4-(prop-1-en-2-yl)benzene | AM20040253 | AKOS009159134 | 4-Fluoro-alpha-methylstyrene (stabilized with TBC)

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754189
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754189
• Sonrisas canónicas: CC(=C)C1=CC=C(C=C1)F
• IUPAC Name: 1-fluoro-4-prop-1-en-2-ylbenzene
• InChIKey: VIXHMBLBLJSGIB-UHFFFAOYSA-N
• INCHI: 1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
• Isómeros SMILES: CC(=C)C1=CC=C(C=C1)F
• Peso molecular: 136.17
• Reaxy-Rn: 2039696
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039696&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropenes
• Alternative Parents: Styrenes Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropene - Styrene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: heat sensitive
• Índice de refracción: 1.511
• Punto de inflamación (°F): 56°C
• Punto de inflamación (°C): 56°C
• Punto de ebullición (°C): 183°C
• Peso molecular: 136.170 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.069 Da
• Monoisotopic Mass: 136.069 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 121.000
• 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