chloromethyl ethyl ether - ≥95% , CAS No.3188-13-4

CAS: 3188-13-4 Cat. No.: C137178 Molecular Weight: 94.54 Beilstein Registry Number: 1(4)3047 EC Number: 221-687-5

GRADE & PURITY ≥95%

Synonyms

CHLOROMETHYL ETHYL ETHER [HSDB] | Ether, chloromethyl ethyl | EtOCH2Cl | HSDB 2805 | Chloromethoxyethane | chloromethoxy-ethane | Q1075275 | ClCH2OC2H5 | chioromethyl ethyl ether | AKOS009156653 | A821042 | CCRIS 8711 | Chloromethyl ethylether | D89215 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Used in the synthesis of HIV-1 reverse transcriptase inhibitiors.

Specifications

Synonyms

CHLOROMETHYL ETHYL ETHER [HSDB] | Ether, chloromethyl ethyl | EtOCH2Cl | HSDB 2805 | Chloromethoxyethane | chloromethoxy-ethane | Q1075275 | ClCH2OC2H5 | chioromethyl ethyl ether | AKOS009156653 | A821042 | CCRIS 8711 | Chloromethyl ethylether | D89215 |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504752892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752892
• Canonical Smiles: CCOCCl
• IUPAC Name: chloromethoxyethane
• InChIKey: FCYRSDMGOLYDHL-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3
• Isomeric SMILES: CCOCCl
• WGK Germany: 3
• UN Number: 2354
• Packing Group: II
• Molecular Weight: 94.54
• Beilstein: 1(4)3047
• Reaxy-Rn: 906702
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906702&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

• Sensitivity: Heat & Moisture sensitive
• Refractive Index: n20/D 1.404
• Flash Point(°F): 66.2 °F
• Flash Point(°C): 19℃
• Boil Point(°C): 80°C
• Molecular Weight: 94.540 g/mol
• XLogP3: 1.100
• 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. Yanmei Ma, Minwen Jiang, Xinjian Liu, Xiaoyu Xu, Xinxin Jiang, Ligang Chen, Na Niu.  (2022)  Functionally modified cross-linked molecularly imprinted resins: separation and purification of camptothecin and its theoretical study.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.115078]

2. Sha Yifan, Dong Tao, Zhao Qiu, Zheng Hongshuai, Wen Xinge, Chen Shimou, Zhang Suojiang.  (2020)  A new strategy for enhancing the room temperature conductivity of solid-state electrolyte by using a polymeric ionic liquid.  IONICS,  26  (10): (4803-4812).  [PMID:] [10.1007/s11581-020-03638-x]

3. Gu Ning, Li Xiaolin, Gao Miao, Liu Zixuan, Liu Qichao, Cao Yang, Sun Youyi.  (2024)  Facile synthesis of magnetic ionic liquid with magnetic tuning electrochemical performance.  IONICS,  30  (5): (2783-2791).  [PMID:] [10.1007/s11581-024-05466-9]