1,2-Bis(chloroacetoxy)ethane - ≥98%(GC) , CAS No.6941-69-1

CAS: 6941-69-1 Cat. No.: B152885 Summenformel: C₆H₈Cl₂O₄ Molekulargewicht: 215.03 Beilstein Registry Number: 2(3)448

GRADE & PURITY ≥98%(GC)

Synonyms

2-(2-chloroacetyl)oxyethyl 2-chloroacetate | MFCD00004319 | 1,2-Bis(chloroacetoxy)ethane | SCHEMBL1036146 | D90437 | Ethylene bis(chloroacetate) | FT-0636300 | Ethylene Glycol Bis(monochloroacetate) | Ethylene glycol bis-(monochloroacetate) | Ethylene gly

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-(2-chloroacetyl)oxyethyl 2-chloroacetate | MFCD00004319 | 1,2-Bis(chloroacetoxy)ethane | SCHEMBL1036146 | D90437 | Ethylene bis(chloroacetate) | FT-0636300 | Ethylene Glycol Bis(monochloroacetate) | Ethylene glycol bis-(monochloroacetate) | Ethylene gly

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 528753666
• Kanonisches Lächeln: C(COC(=O)CCl)OC(=O)CCl
• IUPAC Name: 2-(2-chloroacetyl)oxyethyl 2-chloroacetate
• InChIKey: HIIBHBNRMVLLKH-UHFFFAOYSA-N
• INCHI: 1S/C6H8Cl2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
• Isomere SMILES: C(COC(=O)CCl)OC(=O)CCl
• Molekulargewicht: 215.03
• Beilstein: 2(3)448
• Reaxy-Rn: 1782013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782013&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• 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 - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 158 °C/8 mmHg
• Schmelzpunkt (°C): 40.0 - 45.0 °C
• Molekulargewicht: 215.030 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 213.98 Da
• Monoisotopic Mass: 213.98 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