Dioxane - pesticide residue grade , CAS No.123-91-1

CAS: 123-91-1 Cat. No.: D116161 分子式: C₄H₈O₂ 分子量: 88.11 Beilstein Registry Number: 102551 EC番号: 204-661-8

GRADE & PURITY Pesticide residue grade

Synonyms

1,4-DIOXANE|Dioxane|123-91-1|p-Dioxane|Diethylene ether|1,4-Diethylene dioxide|Dioxan|1,4-Dioxacyclohexane|Tetrahydro-p-dioxin|Di(ethylene oxide)|Tetrahydro-1,4-dioxin|Dioxane-1,4|Dioxanne|Diethylene dioxide|Glycol ethylene ether|1,4-Dioxan|Dioxan-1,4|p-D

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

同義語

1,4-DIOXANE | Dioxane | 123-91-1 | p-Dioxane | Diethylene ether | 1,4-Diethylene dioxide | Dioxan | 1,4-Dioxacyclohexane | Tetrahydro-p-dioxin | Di(ethylene oxide) | Tetrahydro-1,4-dioxin | Dioxane-1,4 | Dioxanne | Diethylene dioxide | Glycol ethylene ether | 1,4-Dioxan | Dioxan-1,4 | p-D

仕様と純度

pesticide residue grade

保管条件

Room temperature,Desiccated

入荷

FedEx DG Service

等級

農薬残留等級

名前と識別子

パブケム・シド

508807072

カノニカル・スマイル

C1COCCO1

IUPAC Name

1,4-dioxane

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

INCHI

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

異性体SMILES

C1COCCO1

WGKドイツ

2

RTECS

JG8225000

UN番号

1165

包装グループ

II

分子量

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
    • 分類 Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 感度: Hygroscopic.
• 融点（°C）: 11 °C
• 屈折率: 1.4175
• 引火点（°F）: 51.8 °F - closed cup
• 引火点（°C）: 11℃ - closed cup
• 沸点（°C）: 101.1°C
• 融点（°C）: 11.8°C
• 分子量: 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