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

CAS: 493-09-4 Cat. No.: B103171 분자식: C₈H₈O₂ 분자량: 136.15 Beilstein Registry Number: 120846 EC 번호: 207-775-6

등급 & 순도 ≥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

개요

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.

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181109

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

C1COC2=CC=CC=C2O1

WGK 독일

3

RTECS

DF4728000

분자량

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 굴절률: 1.549
• 발화점(°F): 156.2 °F
• 발화점(°C): 87 °C
• 끓는점(°C): 103°C
• 분자량: 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

자주 묻는 질문

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.