1,3-Cycloheptanedione - ≥97% , CAS No.1194-18-9

CAS: 1194-18-9 Cat. No.: W134267 Formule: C₇H₁₀(=O)₂ Poids moléculaire: 126.15 Numéro CE: 832-267-1 PubChem CID: 4072367

GRADE & PURITY ≥97%

Synonyms

1 3-CYCLOHEPTANEDIONE | 1 3-cycloheptanedione 97 | SCHEMBL696582 | 1 3-Cycloheptanedione 97 | AM85496 | DTXSID20399029 | EN300-185836 | 1,3-cycloheptandione | SY011060 | BCP22831 | GS-4099 | Cycloheptan-1,3-dione | Z607750376 | HY-W002860 | FT-0645761 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

1 3-CYCLOHEPTANEDIONE | 1 3-cycloheptanedione 97 | SCHEMBL696582 | 1 3-Cycloheptanedione 97 | AM85496 | DTXSID20399029 | EN300-185836 | 1,3-cycloheptandione | SY011060 | BCP22831 | GS-4099 | Cycloheptan-1,3-dione | Z607750376 | HY-W002860 | FT-0645761 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504762829
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762829
• Sourires canoniques: C1CCC(=O)CC(=O)C1
• IUPAC Name: cycloheptane-1,3-dione
• InChIKey: DBOVMTXPZWVYAQ-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
• Isomères SMILES: C1CCC(=O)CC(=O)C1
• WGK Allemagne: 3
• PubChem CID: 4072367
• Poids moléculaire: 126.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 1,3-dicarbonyl compounds
          • Level6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: 1,3-dicarbonyl compounds
• Direct Parent: Beta-diketones
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: 1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
• 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

• Solubilité: Soluble in water (5.5 g/100 g), and dimethyl formamide (DMF)
• Sensibilité: air sensitive
• Indice de réfraction: 1.49
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 122 °C/10 mmHg
• Poids moléculaire: 126.150 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 122.000
• 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