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

CAS: 58328-39-5 Cat. No.: B185367 Summenformel: C₈H₇BrO₂ Molekulargewicht: 215.05 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504768774

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C1COC2=C(O1)C=CC=C2Br

Molekulargewicht

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
    • Klasse Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.5955
• Molekulargewicht: 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

Häufig gestellte Fragen

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.