1,4-Dioxane - ≥99.9%(GC) , CAS No.123-91-1

CAS: 123-91-1 Cat. No.: D767003 Fórmula: C₄H₈O₂ Peso molecular: 88.11 Beilstein Registry Number: 102551 Número EC: 204-661-8

GRADE & PURITY ≥99.9%(GC)

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Especificaciones y pureza

≥99.9%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

FedEx DG Service

Pureza

≥99.9%(GC)

Nombres e identificadores

Pubchem Sid

528753811

Sonrisas canónicas

C1COCCO1

IUPAC Name

1,4-dioxane

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

Isómeros SMILES

C1COCCO1

WGK Alemania

2

RTECS

JG8225000

Número ONU

1165

Grupo de embalaje

II

Peso molecular

88.11

Beilstein

102551

Reaxy-Rn

102551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102551&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• External Descriptors: a small molecule

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: Hygroscopic.
• Punto de congelación (°C): 11 °C
• Índice de refracción: 1.4175
• Punto de inflamación (°F): 51.8 °F - closed cup
• Punto de inflamación (°C): 11℃ - closed cup
• Punto de ebullición (°C): 101.1°C
• Punto de fusión (°C): 11.8°C
• Peso molecular: 88.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• 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