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

CAS: 15164-44-0 Cat. No.: I138274 Formule: C₇H₅IO Poids moléculaire: 232.02 Beilstein Registry Number: 7(4)584 Numéro CE: 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

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Vue d’ensemble

4-Iodobenzaldehyde has been used in the preparation of: ? benzaldimine monolayers ? 4-[2-(trimethylsilyl)ethynyl]benzaldehyde ? 5,15-dimesityl-10-(3-[2-(trimethylsilyl)ethynyi]phenyl}-20-(4-iodophenyl)porphyrin ? 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

Synonymes

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

Spécifications et pureté

≥96%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%(GC)

Noms et identifiants

• Pubchem Sid: 504756331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756331
• Sourires canoniques: 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
• Isomères SMILES: C1=CC(=CC=C1C=O)I
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in methanol
• Sensibilité: light sensitive,air sensitive
• Point d'ébullition (°C): 265 °C
• Point de fusion (°C): 77 °C
• Poids moléculaire: 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

Références

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]