2-Ethoxyacetyl chloride - ≥97% , CAS No.14077-58-8

CAS: 14077-58-8 Cat. No.: E293992 Molecular Weight: 122.55 EC Number: 237-930-3

GRADE & PURITY ≥97%

Synonyms

2-ethoxyacetyl chloride|Ethoxyacetyl chloride|14077-58-8|Acetyl chloride, 2-ethoxy-|ethoxy-acetyl chloride|Ethoxyacetylchloride|2-Ethoxyacetylchloride|EINECS 237-930-3|Ethoxy acetyl chloride|ethoxyacetic acid chloride|(2-Ethoxy)-acetyl chloride|SCHEMBL316

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It is employed in fine chemical syntheses and used as pharmaceutical intermediates. A trace of cis-ethoxyacetamide was also detected and isolated with an authentic sample prepared from the reaction of cis-3-amino-6-methylchroman-4-01 (2) with 2-ethoxyacetyl chloride.

Specifications

Synonyms

2-ethoxyacetyl chloride | Ethoxyacetyl chloride | 14077-58-8 | Acetyl chloride, 2-ethoxy- | ethoxy-acetyl chloride | Ethoxyacetylchloride | 2-Ethoxyacetylchloride | EINECS 237-930-3 | Ethoxy acetyl chloride | ethoxyacetic acid chloride | (2-Ethoxy)-acetyl chloride | SCHEMBL316

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOCC(=O)Cl
• IUPAC Name: 2-ethoxyacetyl chloride
• InChIKey: ZPMWWAIBJJFPPQ-UHFFFAOYSA-N
• INCHI: 1S/C4H7ClO2/c1-2-7-3-4(5)6/h2-3H2,1H3
• Isomeric SMILES: CCOCC(=O)Cl
• Molecular Weight: 122.55
• Reaxy-Rn: 1742995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742995&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

• Solubility: Insoluble in water.
• Sensitivity: heat sensitive
• Molecular Weight: 122.550 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 122.013 Da
• Monoisotopic Mass: 122.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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