5-Bromo-1,4-benzodioxane - ≥95% , CAS No.58328-39-5

CAS: 58328-39-5 Cat. No.: B185367 Fórmula: C₈H₇BrO₂ Peso molecular: 215.05 Número EC: 681-013-4

GRADE & PURITY ≥95%

Synonyms

5-BROMO-2,3-DIHYDRO-1,4-BENZODIOXANE | SCHEMBL4564550 | BS-2086 | 5-bromo-2,3-dihydro[1,4]benzodioxine | 5-bromo-2,3-dihydro[1,4]-benzodioxine | AKOS015835890 | 4-AMINO-2,6-DICHLOROPHENOLHYDROCHLORIDE | A858208 | 5-Bromo-1,4-benzodioxane, AldrichCPR | 5-B

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

5-BROMO-2,3-DIHYDRO-1,4-BENZODIOXANE | SCHEMBL4564550 | BS-2086 | 5-bromo-2,3-dihydro[1,4]benzodioxine | 5-bromo-2,3-dihydro[1,4]-benzodioxine | AKOS015835890 | 4-AMINO-2,6-DICHLOROPHENOLHYDROCHLORIDE | A858208 | 5-Bromo-1,4-benzodioxane, AldrichCPR | 5-B

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504768774

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768774

Sonrisas canónicas

C1COC2=C(O1)C=CC=C2Br

IUPAC Name

5-bromo-2,3-dihydro-1,4-benzodioxine

InChIKey

NGOZRIZXELGVHK-UHFFFAOYSA-N

INCHI

1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2

Isómeros SMILES

C1COC2=C(O1)C=CC=C2Br

Peso molecular

215.05

Reaxy-Rn

7989087

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7989087&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 Aryl bromides Oxacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Aryl halide - Aryl bromide - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - 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

• Índice de refracción: 1.5955
• Peso molecular: 215.040 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 58328-39-5, the molecular formula is C8H7BrO2, and the molecular weight is 215.05 g/mol. InChIKey NGOZRIZXELGVHK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.