2-Chloroethyl Methyl Ether - ≥98% , CAS No.627-42-9

CAS: 627-42-9 Cat. No.: C108060 Molecular Weight: 94.54 Beilstein Registry Number: 1731028 EC Number: 210-999-7

GRADE & PURITY ≥98%

Synonyms

1-CHLORO-2-METHOXYETHANE [HSDB] | 2-Chloroethylmethylether | 2-chloroethyl-methylether | 2-chloroethyl-methyl-ether | 2-Methoxyethyl chloride | 1-(2-chloroethoxy)methane | MFCD00000972 | AKOS000121076 | .BETA.-CHLOROETHYL METHYL ETHER | chloroethylmethyle

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Chloroethyl methyl ether (2-Methoxyethyl chloride) was used in the synthesis of acyclic nucleosides of thieno[2,3-d]pyrimidine derivatives

Specifications

Synonyms

1-CHLORO-2-METHOXYETHANE [HSDB] | 2-Chloroethylmethylether | 2-chloroethyl-methylether | 2-chloroethyl-methyl-ether | 2-Methoxyethyl chloride | 1-(2-chloroethoxy)methane | MFCD00000972 | AKOS000121076 | .BETA.-CHLOROETHYL METHYL ETHER | chloroethylmethyle

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181621
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181621
• Canonical Smiles: COCCCl
• IUPAC Name: 1-chloro-2-methoxyethane
• InChIKey: XTIGGAHUZJWQMD-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
• Isomeric SMILES: COCCCl
• WGK Germany: 3
• UN Number: 3271
• Molecular Weight: 94.54
• Beilstein: 1731028
• Reaxy-Rn: 1731028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731028&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

• Solubility: Soluble in water 60 g/L at 20°C.
• Refractive Index: 1.408
• Flash Point(°F): 50 °F
• Flash Point(°C): 10 °C
• Boil Point(°C): 89-90°C
• Molecular Weight: 94.540 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 94.0185 Da
• Monoisotopic Mass: 94.0185 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• 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. Yan Qiang, Zhu Wenxu, Ma Xiaoxue, Liu Na, Liu Yucheng, Xia Meichen.  (2024)  Thermodynamic properties of new ether-functionalized [Co(NCS)4]2− paramagnetic ionic liquids.  IONICS,      [PMID:] [10.1007/s11581-024-05785-x]