4'-Cyanoacetophenone - ≥97%(GC) , CAS No.1443-80-7

CAS: 1443-80-7 Cat. No.: C153682 Formula: C₉H₇NO Peso molecolare: 145.16 Numero EC: 215-885-0

GRADE & PURITY ≥97%(GC)

Synonyms

4-Cyano acetophenone | MFCD00001825 | AE-562/40237167 | Z56820417 | 4-Acetylbenzonitrile, 99% | 4-Cyanophenyl methyl ketone | Paracyanoacetophenone | para-cyanoacetophenone | 4-acetylbenznitrile | Benzonitrile, 4-acetyl- | 4'-Cyanoacetophenonele;Paracyano

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed
4-Acetylbenzonitrile was used in the synthesis of imidazole derivatives

Specifications

Sinonimi

4-Cyano acetophenone | MFCD00001825 | AE-562/40237167 | Z56820417 | 4-Acetylbenzonitrile, 99% | 4-Cyanophenyl methyl ketone | Paracyanoacetophenone | para-cyanoacetophenone | 4-acetylbenznitrile | Benzonitrile, 4-acetyl- | 4'-Cyanoacetophenonele;Paracyano

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 504754762
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754762
• Sorrisi canonici: CC(=O)C1=CC=C(C=C1)C#N
• IUPAC Name: 4-acetylbenzonitrile
• InChIKey: NLPHXWGWBKZSJC-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
• Isomeri SMILES: CC(=O)C1=CC=C(C=C1)C#N
• WGK Germania: 3
• Peso molecolare: 145.16
• Reaxy-Rn: 1932887
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932887&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 Benzonitriles Aryl alkyl ketones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in chloroform. Insoluble in water.
• Punto di ebollizione (°C): 96°C
• Punto di fusione (°C): 57°C
• Peso molecolare: 145.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 40.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 193.000
• 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, and how is it determined?

This product is supplied at ≥97% 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. Refrigerated storage is required to maintain the specified shelf life.

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 1443-80-7, the molecular formula is C9H7NO, and the molecular weight is 145.16 g/mol. InChIKey NLPHXWGWBKZSJC-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.