3-(Trifluoromethyl)styrene - ≥98%, contains 4-tert-butylcatechol as inhibitor , CAS No.402-24-4

CAS: 402-24-4 Cat. No.: T465092 Peso molecular: 172.15 Número EC: 625-854-7 PubChem CID: 520986

GRADE & PURITY ≥98%, contains 4-tert-butylcatechol as inhibitor

Synonyms

InChI=1/C9H7F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h2-6H,1H | 3-(Trifluoromethyl)styrene (stabilized with HQ) | 1-ethenyl-3-(trifluoromethyl)benzene | 3-Trifluoromethylstyren | m-trifluoromethylstyrene | 3-(Trifluoromethyl)styrene | 3-(Trifluoromethyl)styrene,

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

InChI=1/C9H7F3/c1-2-7-4-3-5-8(6-7)9(10, 11)12/h2-6H, 1H | 3-(Trifluoromethyl)styrene (stabilized with HQ) | 1-ethenyl-3-(trifluoromethyl)benzene | 3-Trifluoromethylstyren | m-trifluoromethylstyrene | 3-(Trifluoromethyl)styrene | 3-(Trifluoromethyl)styrene,

Especificaciones y pureza

≥98%, contains 4-tert-butylcatechol as inhibitor

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

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
• IUPAC Name: 1-ethenyl-3-(trifluoromethyl)benzene
• InChIKey: ARHOUOIHKWELMD-UHFFFAOYSA-N
• INCHI: 1S/C9H7F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h2-6H,1H2
• Isómeros SMILES: C=CC1=CC(=CC=C1)C(F)(F)F
• PubChem CID: 520986
• Peso molecular: 172.15

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive，Heat sensitive
• Índice de refracción: 1.47
• Punto de inflamación (°C): 42 °C
• Punto de ebullición (°C): 65 °C/40 mmHg
• Peso molecular: 172.150 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.05 Da
• Monoisotopic Mass: 172.05 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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