Benzo-1,4-dioxane - ≥98% , CAS No.493-09-4

CAS: 493-09-4 Cat. No.: B103171 Fórmula: C₈H₈O₂ Peso molecular: 136.15 Beilstein Registry Number: 120846 Número EC: 207-775-6

CALIDAD & PUREZA ≥98%

Synonyms

AKOS000120970 | 2,3-Dihydro-1,4-benzodioxine | 2,3-Dihydro-1,4-benzodioxine # | Q-103526 | 2,3-dihydrobenzo[b][1,4]dioxine | 1,4-Dioxatetralin | Benzo-1,4-dioxane, 97% | MFCD00006821 | Benzene, 1,2-[1,2-ethanediylbis(oxy)]- | InChI=1/C8H8O2/c1-2-4-8-7(3-1

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Describtion:

The anti-inflammamtory properties and synthesis of carboxylic acid compounds containing benzo-1,4-dioxane (2,3-dihydro-1,4-benzodioxin) subunit was studied.

Product Application：

Benzo-1,4-dioxane (2,3-dihydro-1,4-benzodioxin) was used in the synthesis of stereoisomers which were evaluated as α- and β- adrenergic antagonists.

Especificaciones

Sinónimos

AKOS000120970 | 2,3-Dihydro-1,4-benzodioxine | 2,3-Dihydro-1,4-benzodioxine # | Q-103526 | 2,3-dihydrobenzo[b][1,4]dioxine | 1,4-Dioxatetralin | Benzo-1,4-dioxane, 97% | MFCD00006821 | Benzene, 1,2-[1,2-ethanediylbis(oxy)]- | InChI=1/C8H8O2/c1-2-4-8-7(3-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488181109

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181109

Sonrisas canónicas

C1COC2=CC=CC=C2O1

IUPAC Name

2,3-dihydro-1,4-benzodioxine

InChIKey

BNBQRQQYDMDJAH-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

Isómeros SMILES

C1COC2=CC=CC=C2O1

WGK Alemania

3

RTECS

DF4728000

Peso molecular

136.15

Beilstein

120846

Reaxy-Rn

120846

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120846&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 Hydrocarbon derivatives
• 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 - 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Índice de refracción: 1.549
• Punto de inflamación (°F): 156.2 °F
• Punto de inflamación (°C): 87 °C
• Punto de ebullición (°C): 103°C
• Peso molecular: 136.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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 ≥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 493-09-4, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey BNBQRQQYDMDJAH-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.