4-Iodobenzaldehído - ≥96%(GC) , CAS No.15164-44-0

CAS: 15164-44-0 Cat. No.: I138274 Peso molecular: 232.02 Beilstein Registry Number: 7(4)584 Número EC: 627-186-1

GRADE & PURITY ≥96%(GC)

Synonyms

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride | BB-0825 | NCGC00188200-01 | NSC84301 | NSC-84301 | SY025388 | STL284481 | 4-Iodobenzaldehyde, 96% | NIEBHDXUIJSHSL-UHFFFAOYSA-N | 4-(iodo)benzaldehyde | CHEBI:641

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Descripción general

el 4-Iodobenzaldehído se ha utilizado en la preparación de: ? monocapas de benzaldimina ? 4-[2-(trimetilsilil)etil]benzaldehído ? 5,15-dimesitil-10-(3-[2-(trimetilsilil)etixi]fenil}-20-(4-yodofenil)porfirina ? 5,15-dimesityl-10-[3,5-bis{2-[4-(N,N′-difluoroboryl-1,9-dimethyidipyrrin-5-yl)-phenyl]ethynyl}phenyl]-20-(4-iodophenyl)porphyrin, multipigment building block

Specifications

Sinónimos

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride | BB-0825 | NCGC00188200-01 | NSC84301 | NSC-84301 | SY025388 | STL284481 | 4-Iodobenzaldehyde, 96% | NIEBHDXUIJSHSL-UHFFFAOYSA-N | 4-(iodo)benzaldehyde | CHEBI:641

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504756331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756331
• Sonrisas canónicas: C1=CC(=CC=C1C=O)I
• IUPAC Name: 4-iodobenzaldehyde
• InChIKey: NIEBHDXUIJSHSL-UHFFFAOYSA-N
• INCHI: 1S/C7H5IO/c8-7-3-1-6(5-9)2-4-7/h1-5H
• Isómeros SMILES: C1=CC(=CC=C1C=O)I
• WGK Alemania: 3
• Peso molecular: 232.02
• Beilstein: 7(4)584
• Reaxy-Rn: 636101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636101&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Iodobenzenes Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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 (no humanos)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in methanol
• Sensibilidad: light sensitive,air sensitive
• Punto de ebullición (°C): 265 °C
• Punto de fusión (°C): 77 °C
• Peso molecular: 232.020 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 231.939 Da
• Monoisotopic Mass: 231.939 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• 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

Referencias

1. Ying-Jie Tang, Wen-Le Fang, Kui Ren, Xiao-Feng Guo, Hong Wang.  (2021)  A turn-on homodimer fluorescent probe based on homo-FRET for the sensing of biothiols in lysosome: a trial of a new turn-on strategy.  ANALYST,  146  (9): (2974-2982).  [PMID:33949411] [10.1039/D1AN00161B]