5-(2-Bromoethoxy)-1,4-benzodioxane - ≥95% , CAS No.1710-62-9

CAS: 1710-62-9 Cat. No.: B301161 Peso molecular: 259.11

GRADE & PURITY ≥95%

Synonyms

5-(2-Bromoethoxy)-1,4-benzodioxane | A881956 | PS-9903 | MFCD00099411 | FT-0619578 | AKOS015888733 | IHXJWHBJQFUJBZ-UHFFFAOYSA-N | DTXSID50370801 | 5-(2-Bromoethoxy)-2,3-dihydro-1,4-benzodioxin | 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine | 5-(2-Bromo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-(2-Bromoethoxy)-1, 4-benzodioxane | A881956 | PS-9903 | MFCD00099411 | FT-0619578 | AKOS015888733 | IHXJWHBJQFUJBZ-UHFFFAOYSA-N | DTXSID50370801 | 5-(2-Bromoethoxy)-2, 3-dihydro-1, 4-benzodioxin | 5-(2-bromoethoxy)-2, 3-dihydro-1, 4-benzodioxine | 5-(2-Bromo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1COC2=C(O1)C=CC=C2OCCBr
• IUPAC Name: 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine
• InChIKey: IHXJWHBJQFUJBZ-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrO3/c11-4-5-12-8-2-1-3-9-10(8)14-7-6-13-9/h1-3H,4-7H2
• Isómeros SMILES: C1COC2=C(O1)C=CC=C2OCCBr
• Peso molecular: 259.11
• Reaxy-Rn: 8408504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8408504&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Alkyl aryl ethers Para dioxins Benzenoids Oxacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
• 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

• Peso molecular: 259.100 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 257.989 Da
• Monoisotopic Mass: 257.989 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 177.000
• 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