2-(4-Bromobutoxy)tetrahydro-2H-pyran - ≥98% , CAS No.31608-22-7

CAS: 31608-22-7 Cat. No.: B153127 Peso molecular: 237.14 Beilstein Registry Number: 17(5)3,80 Número EC: 987-836-8

GRADE & PURITY ≥98%

Synonyms

2-(4-Bromobutoxy)-tetrahydro-2H-pyran | 2-(4-Bromobutoxy)tetrahydro-2H-pyran | 2-(4-Bromobutoxy)tetrahydro-2H-pyran, 98% | 1-bromo-4-(tetrahydropyran-2-yloxy)butane | B3186 | C74627 | 4-(tetrahydropyranyloxy)butyl bromide | 4-Bromobutyl tetrahydro-2H-pyra

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-(4-Bromobutoxy)-tetrahydro-2H-pyran | 2-(4-Bromobutoxy)tetrahydro-2H-pyran | 2-(4-Bromobutoxy)tetrahydro-2H-pyran, 98% | 1-bromo-4-(tetrahydropyran-2-yloxy)butane | B3186 | C74627 | 4-(tetrahydropyranyloxy)butyl bromide | 4-Bromobutyl tetrahydro-2H-pyra

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

• Pubchem Sid: 504759256
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759256
• Sonrisas canónicas: C1CCOC(C1)OCCCCBr
• IUPAC Name: 2-(4-bromobutoxy)oxane
• InChIKey: DFXFQWZHKKEJDM-UHFFFAOYSA-N
• INCHI: 1S/C9H17BrO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
• Isómeros SMILES: C1CCOC(C1)OCCCCBr
• Peso molecular: 237.14
• Beilstein: 17(5)3,80
• Reaxy-Rn: 1422220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422220&ln=

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 Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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: 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: Heat sensitive
• Índice de refracción: 1.48
• Peso molecular: 237.130 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 236.041 Da
• Monoisotopic Mass: 236.041 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 109.000
• 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