Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde - ≥95%(GC) , CAS No.38259-00-6

CAS: 38259-00-6 Cat. No.: B152621 Peso molecular: 136.19

GRADE & PURITY ≥95%(GC)

Synonyms

AKOS037645889 | KCHFYKPIADOPBJ-UHFFFAOYSA-N | AS-64554 | DTXSID90500302 | B5279 | bicyclo[2,2,2]oct-5-ene-2-carboxaldehyde | EN300-260407 | MFCD24673746 | Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde | SCHEMBL718244 | rac-(1R,2R,4R)-bicyclo[2.2.2]oct-5-ene-2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS037645889 | KCHFYKPIADOPBJ-UHFFFAOYSA-N | AS-64554 | DTXSID90500302 | B5279 | bicyclo[2, 2, 2]oct-5-ene-2-carboxaldehyde | EN300-260407 | MFCD24673746 | Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde | SCHEMBL718244 | rac-(1R, 2R, 4R)-bicyclo[2.2.2]oct-5-ene-2-

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1CC2C=CC1CC2C=O
• IUPAC Name: bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
• InChIKey: KCHFYKPIADOPBJ-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,6-9H,2,4-5H2
• Isómeros SMILES: C1CC2C=CC1CC2C=O
• Peso molecular: 136.19
• Reaxy-Rn: 2243762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2243762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°C): 68 °C
• Punto de ebullición (°C): 73°C/6mmHg(lit.)
• Punto de fusión (°C): 13°C(lit.)
• Peso molecular: 136.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1