5-Norbornen-2-ol, mixture of endo and exo - ≥98% , CAS No.13080-90-5

CAS: 13080-90-5 Cat. No.: N101933 Peso molecular: 110.15 Número EC: 235-987-9

GRADE & PURITY ≥98%

Synonyms

exo-2-Norbornenol | Bicyclo[2.2.1]hept-5-en-2-ol | DS-13830 | 5-bicyclo[2.2.1]hept-2-enol | NSC 50234 | Bicyclo(2.2.1)hept-5-en-2-ol, exo- | bicyclo[2.2.1]hept-2-en-5-ol | 5-Norbornene-2-ol | Bicyclo[2.2.1]hept-5-en-2-ol # | norbornene-5-ol | MFCD00167566

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

exo-2-Norbornenol | Bicyclo[2.2.1]hept-5-en-2-ol | DS-13830 | 5-bicyclo[2.2.1]hept-2-enol | NSC 50234 | Bicyclo(2.2.1)hept-5-en-2-ol, exo- | bicyclo[2.2.1]hept-2-en-5-ol | 5-Norbornene-2-ol | Bicyclo[2.2.1]hept-5-en-2-ol # | norbornene-5-ol | MFCD00167566

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1C2CC(C1C=C2)O
• IUPAC Name: bicyclo[2.2.1]hept-5-en-2-ol
• InChIKey: MKOSBHNWXFSHSW-UHFFFAOYSA-N
• INCHI: 1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
• Isómeros SMILES: C1C2CC(C1C=C2)O
• WGK Alemania: 3
• Número ONU: 1325
• Peso molecular: 110.15
• Reaxy-Rn: 6052502
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6052502&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cyclic alcohol - Secondary alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl 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

• Solubilidad: Slightly soluble in water
• Sensibilidad: Hygroscopic
• Punto de inflamación (°C): 51 °C
• Punto de fusión (°C): 104-106 °C
• Peso molecular: 110.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 128.000
• 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