Diethyl oxalate - analytical standard , CAS No.95-92-1

CAS: 95-92-1 Cat. No.: D489097 分子式: C₆H₁₀O₄ 分子量: 146.14 Beilstein Registry Number: 606350 EC番号: 202-464-1

GRADE & PURITY Analytical standard

Synonyms

DIETHYL OXALATE|95-92-1|Ethyl oxalate|diethyloxalate|Ethanedioic acid, diethyl ester|Diethyl ethanedioate|Oxalic acid, diethyl ester|Oxalic ether|Oxalic Acid Diethyl Ester|NSC 8851|Diethylester kyseliny stavelove|Diethyl ester of oxalic acid|860M3ZWF6J|DT

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

DIETHYL OXALATE | 95-92-1 | Ethyl oxalate | diethyloxalate | Ethanedioic acid, diethyl ester | Diethyl ethanedioate | Oxalic acid, diethyl ester | Oxalic ether | Oxalic Acid Diethyl Ester | NSC 8851 | Diethylester kyseliny stavelove | Diethyl ester of oxalic acid | 860M3ZWF6J | DT

仕様と純度

analytical standard

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528775445
• カノニカル・スマイル: CCOC(=O)C(=O)OCC
• IUPAC Name: diethyl oxalate
• InChIKey: WYACBZDAHNBPPB-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
• 異性体SMILES: CCOC(=O)C(=O)OCC
• WGKドイツ: 1
• RTECS: RO2800000
• UN番号: 2525
• 包装グループ: III
• 分子量: 146.14
• Beilstein: 606350
• Reaxy-Rn: 606350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: 1.4101
• 引火点（°F）: 168.8℉
• 引火点（°C）: 76°C
• 沸点（°C）: 185°C
• 融点（°C）: -41°C
• 分子量: 146.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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

参考文献

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