4-Fluorocinnamaldehyde - ≥95%(GC) , CAS No.24654-55-5

CAS: 24654-55-5 Cat. No.: F156576 Peso molecular: 150.15 Número EC: 677-538-3

GRADE & PURITY ≥95%(GC)

Synonyms

(E)-3-(4-fluorophenyl)acrylaldehyde | J-501917 | SCHEMBL1435786 | 3-(4-fluorophenyl)acrylaldehyde | MFCD03425895 | 3-(4-fluorophenyl)acrolein | EN300-270466 | Z2768202189 | 4-Fluorocinnamaldehyde | (E)-3-(4-Fluoro-phenyl)-propenal | YSIYEWBILJZDQH-OWOJBTE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(E)-3-(4-fluorophenyl)acrylaldehyde | J-501917 | SCHEMBL1435786 | 3-(4-fluorophenyl)acrylaldehyde | MFCD03425895 | 3-(4-fluorophenyl)acrolein | EN300-270466 | Z2768202189 | 4-Fluorocinnamaldehyde | (E)-3-(4-Fluoro-phenyl)-propenal | YSIYEWBILJZDQH-OWOJBTE

Especificaciones y pureza

≥95%(GC)

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

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C=CC=O)F
• IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enal
• InChIKey: YSIYEWBILJZDQH-OWOJBTEDSA-N
• INCHI: 1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
• Isómeros SMILES: C1=CC(=CC=C1/C=C/C=O)F
• Peso molecular: 150.15
• Reaxy-Rn: 2078813
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078813&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Styrenes Fluorobenzenes Aryl fluorides Enals Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Styrene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enal - Alpha,beta-unsaturated aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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
• Índice de refracción: 1.6
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 95°C/2mmHg
• Peso molecular: 150.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.048 Da
• Monoisotopic Mass: 150.048 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Yangyang Zhou, Chen Chen, Qiling Li, Yanbo Liu, Ting Wei, Youzhen Liu, Zebing Zeng, Darren Bradshaw, Bing Zhang, Jia Huo.  (2022)  Precise control of selective hydrogenation of α,β-unsaturated aldehydes in water mediated by ammonia borane.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2022.121348]

2. Shuibo Wang, Biao Wu, Qiuju Zhang, Yiming Li, Lin Zhu, Hongbo Yu, Hongfeng Yin.  (2024)  Design of Pt@Sn core–shell nanocatalysts for highly selective hydrogenation of cinnamaldehyde to prepare cinnamyl alcohol.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151019]