4'-(1-Pyrazolyl)acetophenone - ≥98% , CAS No.25699-98-3

CAS: 25699-98-3 Cat. No.: P588443 Formule: C₁₁H₁₀N₂O Poids moléculaire: 186.21 Numéro CE: 959-794-0 PubChem CID: 12238134

GRADE & PURITY ≥98%

Synonyms

MFCD08572143 | 1-(4-pyrazol-1-ylphenyl)ethanone | 1-(4-pyrazol-1-yl-phenyl)ethanone | 1-(4-pyrazol-1-yl-phenyl)-ethanone | SGXKUEXZFMNYRE-UHFFFAOYSA-N | Ethanone, 1-[4-(1H-pyrazol-1-yl)phenyl]- | EN300-27358 | F8880-3352 | DTXSID50481840 | 4'-(1-Pyrazolyl

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

MFCD08572143 | 1-(4-pyrazol-1-ylphenyl)ethanone | 1-(4-pyrazol-1-yl-phenyl)ethanone | 1-(4-pyrazol-1-yl-phenyl)-ethanone | SGXKUEXZFMNYRE-UHFFFAOYSA-N | Ethanone, 1-[4-(1H-pyrazol-1-yl)phenyl]- | EN300-27358 | F8880-3352 | DTXSID50481840 | 4'-(1-Pyrazolyl

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

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

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504767006
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767006
• Sourires canoniques: CC(=O)C1=CC=C(C=C1)N2C=CC=N2
• IUPAC Name: 1-(4-pyrazol-1-ylphenyl)ethanone
• InChIKey: SGXKUEXZFMNYRE-UHFFFAOYSA-N
• INCHI: 1S/C11H10N2O/c1-9(14)10-3-5-11(6-4-10)13-8-2-7-12-13/h2-8H,1H3
• Isomères SMILES: CC(=O)C1=CC=C(C=C1)N2C=CC=N2
• PubChem CID: 12238134
• Poids moléculaire: 186.21

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: Phenylpyrazoles Acetophenones Benzoyl derivatives Aryl alkyl ketones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpyrazole - Acetophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 186.210 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079 Da
• Monoisotopic Mass: 186.079 Da
• Topological Polar Surface Area: 34.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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