3-iodobenzaldehyde - ≥95%(GC) , CAS No.696-41-3

CAS: 696-41-3 Cat. No.: I135884 Summenformel: C₇H₅IO Molekulargewicht: 232.02 Beilstein Registry Number: 7(4)583 EG-Nummer: 626-706-4

GRADE & PURITY ≥95%(GC)

Synonyms

3-iodanylbenzaldehyde | SCHEMBL97069 | AKOS000478333 | MFCD00039573 | PS-6040 | Z57887683 | Benzaldehyde, 3-iodo- | RZODAQZAFOBFLS-UHFFFAOYSA-N | 3-Iodobenzaldehyde | 3-Iodo-benzaldehyde | m-Jodbenzaldehyd | FT-0615893 | NSC74694 | NSC-74694 | 3-iodbenzal

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

3-Iodobenzaldehyde can be prepared by the iodination of benzaldehyde using 1,3-diiodo-5,5-dimethylhydantoin in sulfuric acid.

3-Iodobenzaldehyde may be used as a starting material in the preparation of:

· 3-iodocinnamic acid

· 3-(3-hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde

· 1,3-dihydroxy-2-(3-iodophenyl)-4,4,5,5-tetramethylimidazolidine

Specifications

Synonyme

3-iodanylbenzaldehyde | SCHEMBL97069 | AKOS000478333 | MFCD00039573 | PS-6040 | Z57887683 | Benzaldehyde, 3-iodo- | RZODAQZAFOBFLS-UHFFFAOYSA-N | 3-Iodobenzaldehyde | 3-Iodo-benzaldehyde | m-Jodbenzaldehyd | FT-0615893 | NSC74694 | NSC-74694 | 3-iodbenzal

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 504758125
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758125
• Kanonisches Lächeln: C1=CC(=CC(=C1)I)C=O
• IUPAC Name: 3-iodobenzaldehyde
• InChIKey: RZODAQZAFOBFLS-UHFFFAOYSA-N
• INCHI: 1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H
• Isomere SMILES: C1=CC(=CC(=C1)I)C=O
• WGK Deutschland: 3
• Molekulargewicht: 232.02
• Beilstein: 7(4)583
• Reaxy-Rn: 1854653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854653&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air sensitive； Light sensitive
• Siedepunkt (°C): 125 °C/13 mmHg
• Schmelzpunkt (°C): 59 °C
• Molekulargewicht: 232.020 g/mol
• XLogP3: 2.200
• 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: 103.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 696-41-3, the molecular formula is C7H5IO, and the molecular weight is 232.02 g/mol. InChIKey RZODAQZAFOBFLS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.