6-Bromo-1,4-benzodioxane - ≥98% , CAS No.52287-51-1

CAS: 52287-51-1 Cat. No.: B133470 Formula: C₈H₇BrO₂ Peso molecolare: 215.05 Numero EC: 257-817-2

GRADE & PURITY ≥98%

Synonyms

HY-W002191 | 1-bromo-3,4-(ethylenedioxy)benzene | NSC62219 | Z56944508 | 1,4-Benzodioxin, 6-bromo-2,3-dihydro- | EINECS 257-817-2 | 6-bromo-2,3-dihydro-1,4-benzodioxine | 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine | A848202 | Ethylendioxybromobenzene | 6-Bro

Storage

Room temperature

Shipped In

Normal

Panoramica

application：

6-Bromo-1,4-benzodioxane may be used as a starting reagent in the synthesis of chiral diphosphines (SYNPHOS and DIFLUORPHOS).

product description：

6-Bromo-1,4-benzodioxane is an aryl halide. It can be synthesized from 1,4-benzodioxane, via bromination with bromine in acetic acid. It undergoes alkoxycarbonylation reaction with sodium tert-butoxide in the presence of CO to yield 2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid t-butyl ester.

Specifications

Sinonimi

HY-W002191 | 1-bromo-3,4-(ethylenedioxy)benzene | NSC62219 | Z56944508 | 1,4-Benzodioxin, 6-bromo-2,3-dihydro- | EINECS 257-817-2 | 6-bromo-2,3-dihydro-1,4-benzodioxine | 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine | A848202 | Ethylendioxybromobenzene | 6-Bro

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488187343

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187343

Sorrisi canonici

C1COC2=C(O1)C=CC(=C2)Br

IUPAC Name

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

InChIKey

LFCURAJBHDNUNG-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1COC2=C(O1)C=CC(=C2)Br

WGK Germania

3

Peso molecolare

215.05

Reaxy-Rn

6223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6223&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.588
• Punto di infiammabilità (°F): 230℉
• Punto di infiammabilità (°C): >110℃
• Punto di ebollizione (°C): 259-260 °C
• Peso molecolare: 215.040 g/mol
• XLogP3: 2.200
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 52287-51-1, the molecular formula is C8H7BrO2, and the molecular weight is 215.05 g/mol. InChIKey LFCURAJBHDNUNG-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.