Diethylene Glycol Bis(2-chloroethyl) Ether - ≥97%(GC) , CAS No.638-56-2

CAS: 638-56-2 Cat. No.: D155504 Molecular Weight: 231.11 EC Number: 629-328-8

GRADE & PURITY ≥97%(GC)

Synonyms

Cl-PEG3-Cl | ZCFRYTWBXNQVOW-UHFFFAOYSA- | 1,11-Dichloro-3,6,9-trioxaundecane | 1-Chloro-2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethane | 1-Chloro-2-(2-(2-(2-chloroethoxy)-ethoxy)ethoxy)ethane | 1,1'-Dichloro-3,6,9-trioxaundecane | Ethane, 1,1'-oxybis[2-(2-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Cl-PEG3-Cl | ZCFRYTWBXNQVOW-UHFFFAOYSA- | 1, 11-Dichloro-3, 6, 9-trioxaundecane | 1-Chloro-2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethane | 1-Chloro-2-(2-(2-(2-chloroethoxy)-ethoxy)ethoxy)ethane | 1, 1'-Dichloro-3, 6, 9-trioxaundecane | Ethane, 1, 1'-oxybis[2-(2-c

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488183456
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183456
• Canonical Smiles: C(COCCCl)OCCOCCCl
• IUPAC Name: 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethoxy]ethane
• InChIKey: ZCFRYTWBXNQVOW-UHFFFAOYSA-N
• INCHI: 1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
• Isomeric SMILES: C(COCCCl)OCCOCCCl
• WGK Germany: 3
• RTECS: KN0525000
• UN Number: UN2810
• Packing Group: III
• Molecular Weight: 231.11
• Reaxy-Rn: 1071710
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071710&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl 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

Chemical and Physical Properties

• Refractive Index: 1.46
• Boil Point(°C): 105°/0.2mbar
• Molecular Weight: 231.110 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 230.048 Da
• Monoisotopic Mass: 230.048 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 83.500
• 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

References

1. Xiaozhou Wang, Jiannan Li, Wanting Chen, Bo Pang, Yong Liu, Yusong Guo, Xuemei Wu, Fujun Cui, Gaohong He.  (2021)  Polybenzimidazole Ultrathin Anion Exchange Membrane with Comb-Shape Amphiphilic Microphase Networks for a High-Performance Fuel Cell.  ACS Applied Materials & Interfaces,      [PMID:34637257] [10.1021/acsami.1c12570]

2. Yuchao Niu, Jiannan Li, Weiming Yu, Wanting Chen, Xuemei Wu, Gaohong He, Miao Yu, Tiantian Li.  (2024)  Comb-shaped anion exchange membrane with segmented hydrophilic/hydrophobic side chain.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2024.108241]