1,4-Dioxane - AR, ≥99%, contains 20-30 ppm BHT as stabilizer , CAS No.123-91-1

CAS: 123-91-1 Cat. No.: D116157 분자식: C₄H₈O₂ 분자량: 88.11 Beilstein Registry Number: 102551 EC 번호: 204-661-8

GRADE & PURITY AR, ≥99%, contains 20-30 ppm BHT as stabilizer

Synonyms

1-4-dioxane | AMY33329 | Dioksan | Dioxane-1,4 | EINECS 204-661-8 | Dioxane 1.4 | Glycolethylenether | 1,4-Dioxane, for HPLC | 5-19-01-00016 (Beilstein Handbook Reference) | Dioxane | EC 204-661-8 | 1,4- dioxane | 1,4 -dioxane | 1-4 Dioxane | Dioxyethylen

Storage

Room temperature

Shipped In

FedEx DG Service

개요

1,4-Dioxane is a heterocyclic organic compound that is commonly used as a solvent in several chemical reactions. It is also used as a stabilizer in chlorinated solvents. 

Application：

1,4-Dioxane can be used as: A solvent in the N-methylation of amines by reductive functionalization of CO2 in the presence of NaBH4 as the reducing reagent. An additive to synthesize 3-hydroxylisoindolin-1-ones via hydroxylhydrative aza-cyclization of 2-alkynylbenzamide. A mixture of 1,4-dioxane/ethanol/formic acid solvent system can be used in the depolymerization of lignin to synthesize value-added phenolic monomers.

Specifications

동의어

1-4-dioxane | AMY33329 | Dioksan | Dioxane-1,4 | EINECS 204-661-8 | Dioxane 1.4 | Glycolethylenether | 1,4-Dioxane, for HPLC | 5-19-01-00016 (Beilstein Handbook Reference) | Dioxane | EC 204-661-8 | 1,4- dioxane | 1,4 -dioxane | 1-4 Dioxane | Dioxyethylen

사양 및 순도

AR, ≥99%, contains 20-30 ppm BHT as stabilizer

보관 조건

Room temperature

배송

FedEx DG Service

등급

AR

순수함

≥99%

이름과 식별자

Pubchem Sid

508807076

정식 스마일

C1COCCO1

IUPAC Name

1,4-dioxane

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

이성체 SMILES

C1COCCO1

WGK 독일

2

RTECS

JG8225000

UN 번호

1165

포장 그룹

II

분자량

88.11

Beilstein

102551

Reaxy-Rn

102551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102551&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• External Descriptors: a small molecule

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: Solubility in water: Completely miscible
• 감도: Hygroscopic.
• 동결점(°C): 11 °C
• 굴절률: 1.4175
• 발화점(°F): 51.8 °F - closed cup
• 발화점(°C): 11℃ - closed cup
• 끓는점(°C): 101.1°C
• 녹는점(°C): 11.8°C
• 분자량: 88.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• 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