3'-Iodoacetophenone - ≥97% , CAS No.14452-30-3

CAS: 14452-30-3 Cat. No.: I122014 Formula: IC₆H₄COCH₃ Peso molecolare: 246.05 Numero EC: 627-958-8

GRADE & PURITY ≥97%

Synonyms

SCHEMBL172793 | 3 inverted exclamation mark -Iodoacetophenone | 3'-Iodoacetophenone, 97% | DTXSID5065770 | 1-(3-iodophenyl)-ethanon;1-(3-Iodophenyl)ethanone | AC-3643 | EN300-67490 | CK2572 | Ethanone, 1-(3-iodophenyl)- | MFCD00060283 | SY109511 | 3'-Iodo

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

application：

3'-Iodoacetophenone is a reagent used in the synthesis of sulfonamide derivative containing dihydropyrazole moieties as an inhibitor of MMP-2/MMP-9.

Specifications

Sinonimi

SCHEMBL172793 | 3 inverted exclamation mark -Iodoacetophenone | 3'-Iodoacetophenone, 97% | DTXSID5065770 | 1-(3-iodophenyl)-ethanon;1-(3-Iodophenyl)ethanone | AC-3643 | EN300-67490 | CK2572 | Ethanone, 1-(3-iodophenyl)- | MFCD00060283 | SY109511 | 3'-Iodo

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504755755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755755
• Sorrisi canonici: CC(=O)C1=CC(=CC=C1)I
• IUPAC Name: 1-(3-iodophenyl)ethanone
• InChIKey: IWLHOUBDKCKJJQ-UHFFFAOYSA-N
• INCHI: 1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
• Isomeri SMILES: CC(=O)C1=CC(=CC=C1)I
• WGK Germania: 3
• Peso molecolare: 246.05
• Reaxy-Rn: 1857384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Iodobenzenes Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol
• Sensibilità: Light sensitive
• Indice di rifrazione: 1.6247
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 107°C/1mmHg
• Punto di fusione (°C): 25 °C
• Peso molecolare: 246.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 245.954 Da
• Monoisotopic Mass: 245.954 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 14452-30-3, the molecular formula is C8H7IO, and the molecular weight is 246.05 g/mol. InChIKey IWLHOUBDKCKJJQ-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.