2,2'-Oxydiacetyl Chloride - ≥97%(GC)(T) , CAS No.21062-20-4

CAS: 21062-20-4 Cat. No.: O159911 Molecular Weight: 170.97 EC Number: 244-186-3

GRADE & PURITY ≥97%(GC)(T)

Synonyms

Oxydiacetyl dichloride | 2,2-OXYDIACETYLCHLORIDE | 2,2'-Oxydiacetyl Chloride, >/=97% | D91875 | Acetyl chloride, 2,2'-oxybis- | FT-0638083 | SCHEMBL2262348 | 2,2'-Oxybis[acetyl chloride] | Diglycolyl chloride | DTXSID20175289 | EINECS 244-186-3 | LCZC2438

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Oxydiacetyl dichloride | 2, 2-OXYDIACETYLCHLORIDE | 2, 2'-Oxydiacetyl Chloride, >/=97% | D91875 | Acetyl chloride, 2, 2'-oxybis- | FT-0638083 | SCHEMBL2262348 | 2, 2'-Oxybis[acetyl chloride] | Diglycolyl chloride | DTXSID20175289 | EINECS 244-186-3 | LCZC2438

Specifications & Purity

≥97%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488186521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186521
• Canonical Smiles: C(C(=O)Cl)OCC(=O)Cl
• IUPAC Name: 2-(2-chloro-2-oxoethoxy)acetyl chloride
• InChIKey: GTZXSBQCNBNWPK-UHFFFAOYSA-N
• INCHI: 1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2
• Isomeric SMILES: C(C(=O)Cl)OCC(=O)Cl
• WGK Germany: 3
• Molecular Weight: 170.97
• Reaxy-Rn: 1906658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ether - Dialkyl ether - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.47
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 57 °C/0.5 mmHg
• Molecular Weight: 170.980 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 169.954 Da
• Monoisotopic Mass: 169.954 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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

References

1. Jinglei Cui, Yingjian Zhang, Xiaoguang Gui, Jingjing Tan, Yanxia Guo, Fangqin Cheng.  (2023)  Surface structure regulating of silica adsorbent for the selective adsorption of heavy rare earth.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.122991]