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

CAS: 15164-44-0 Cat. No.: I138274 Molecular Weight: 232.02 Beilstein Registry Number: 7(4)584 EC Number: 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

Overview

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

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

Specifications & Purity

≥96%(GC)

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 504756331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756331
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1C=O)I
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in methanol
• Sensitivity: light sensitive,air sensitive
• Boil Point(°C): 265 °C
• Melt Point(°C): 77 °C
• Molecular Weight: 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

References

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]