1,2-Epoxyhexane - ≥96%(GC) , CAS No.1436-34-6

CAS: 1436-34-6 Cat. No.: E156398 Peso molecular: 100.16 Beilstein Registry Number: 17(5)1,103 Número EC: 215-864-6

GRADE & PURITY ≥96%(GC)

Synonyms

1,2-Hexylene Oxide | Butyloxirane | 1-Hexene oxide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

1,2-Epoxyhexane is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development.

Specifications

Sinónimos

1, 2-Hexylene Oxide | Butyloxirane | 1-Hexene oxide

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504752627
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752627
• Sonrisas canónicas: CCCCC1CO1
• IUPAC Name: 2-butyloxirane
• InChIKey: WHNBDXQTMPYBAT-UHFFFAOYSA-N
• INCHI: 1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3
• Isómeros SMILES: CCCCC1CO1
• RTECS: MO3630000
• Peso molecular: 100.16
• Beilstein: 17(5)1,103
• Reaxy-Rn: 102568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102568&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
• 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: Difficult to mix
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.4050 - 1.4070
• Punto de inflamación (°F): 59°F
• Punto de inflamación (°C): 15°C
• Punto de ebullición (°C): 120°C
• Peso molecular: 100.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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