Tetrahydropyran（THP) - ≥99% , CAS No.142-68-7

CAS: 142-68-7 Cat. No.: T100998 Peso molecular: 86.13 Beilstein Registry Number: 102436 Número EC: 205-552-8 PubChem CID: 8894

GRADE & PURITY ≥99%

Synonyms

Tetrahydro-2H-pyran | Pentamethylene oxide | THP

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Tetrahydro-2H-pyran | Pentamethylene oxide | THP

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

FedEx DG Service

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

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180903
• Sonrisas canónicas: C1CCOCC1
• IUPAC Name: oxane
• InChIKey: DHXVGJBLRPWPCS-UHFFFAOYSA-N
• INCHI: 1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
• Isómeros SMILES: C1CCOCC1
• WGK Alemania: 3
• PubChem CID: 8894
• Número ONU: 1993
• Peso molecular: 86.13
• Beilstein: 102436
• Reaxy-Rn: 102436

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - 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 oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• External Descriptors: saturated organic heteromonocyclic parent - oxanes

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: It is soluble in water.
• Sensibilidad: Light sensitive
• Índice de refracción: 1.4195
• Punto de inflamación (°F): 3.2 °F
• Punto de inflamación (°C): -15℃
• Punto de ebullición (°C): 88°C
• Punto de fusión (°C): -45°C
• Peso molecular: 86.130 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.900
• 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

Referencias

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