1,2-Bis(bromoacetoxy)ethane - ≥95% , CAS No.3785-34-0

CAS: 3785-34-0 Cat. No.: B693687 分子式: C₆H₈Br₂O₄ 分子量: 303.93 EC番号: 223-250-4

GRADE & PURITY ≥95%

Synonyms

Ethane-1,2-diyl bis(2-bromoacetate)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Ethane-1,2-diyl bis(2-bromoacetate)

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

カノニカル・スマイル

C(COC(=O)CBr)OC(=O)CBr

IUPAC Name

2-(2-bromoacetyl)oxyethyl 2-bromoacetate

InChIKey

WGHAPLWNJPAJDE-UHFFFAOYSA-N

INCHI

1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

異性体SMILES

C(COC(=O)CBr)OC(=O)CBr

代替CAS番号

3785-34-0

NSC番号

25854

MeSH用語

5-chloro-3-tert-butyl-2'-chloro-4'-nitrosalicylanilide;S 13;S-13

分子量

303.93

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: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - 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

• 分子量: 303.930 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 303.877 Da
• Monoisotopic Mass: 301.879 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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