3,5-Bis(trifluoromethyl)styrene (stabilized with HQ) - ≥98% , CAS No.349-59-7

CAS: 349-59-7 Cat. No.: B152279 Peso molecular: 240.15 Número EC: 620-624-2

GRADE & PURITY ≥98%

Synonyms

AKOS015852647 | 1,3-bis(trifluoromethyl)-5-vinylbenzene | EN300-1931653 | DTXSID90378301 | 1-ethenyl-3,5-bis(trifluoromethyl)benzene | PS-11206 | AC-26210 | 3,5-Bis(trifluoromethyl)styrene | FT-0650913 | SCHEMBL347778 | C10H6F6 | MFCD00075538 | 3,5-Bis(tr

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Application:

3,5-Bis(trifluoromethyl)styrene is used to produce other chemicals for example 1-(3, 5-bis-Trifluoromethyl-phenyl)-ethane-1, 2-diol.

Specifications

Sinónimos

AKOS015852647 | 1, 3-bis(trifluoromethyl)-5-vinylbenzene | EN300-1931653 | DTXSID90378301 | 1-ethenyl-3, 5-bis(trifluoromethyl)benzene | PS-11206 | AC-26210 | 3, 5-Bis(trifluoromethyl)styrene | FT-0650913 | SCHEMBL347778 | C10H6F6 | MFCD00075538 | 3, 5-Bis(tr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C=CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
• IUPAC Name: 1-ethenyl-3,5-bis(trifluoromethyl)benzene
• InChIKey: LFICVUCVPKKPFF-UHFFFAOYSA-N
• INCHI: 1S/C10H6F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-5H,1H2
• Isómeros SMILES: C=CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
• Peso molecular: 240.15
• Reaxy-Rn: 2123713
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2123713&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Styrenes Organofluorides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Styrene - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Objetivos asociados (humanos)

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP2K4 Tchem Dual specificity mitogen-activated protein kinase kinase 4 (1051 Activities)

Discover Target: MAP2K4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

Discover Target: RPS6KA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Sparingly soluble in water
• Sensibilidad: Heat sensitive
• Índice de refracción: n20/D 1.4235-1.4275 @ 20°C
• Punto de inflamación (°F): 122℉
• Punto de inflamación (°C): 50°C(lit.)
• Punto de ebullición (°C): 59-61°C/20mm
• Punto de fusión (°C): 7-8°C
• Peso molecular: 240.140 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 240.037 Da
• Monoisotopic Mass: 240.037 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 229.000
• 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