2-(2-Chloroethoxy)tetrahydro-2H-pyran - ≥96%(GC) , CAS No.5631-96-9

CAS: 5631-96-9 Cat. No.: C140279 Molecular Weight: 164.63 Beilstein Registry Number: 1280441

GRADE & PURITY ≥96%(GC)

Synonyms

AS-63087 | SY052593 | 2-(2-chloroethoxy)oxane | DTXSID70292031 | 1-chloro-2-[(2-tetrahydropyranyl)-oxy]-ethane | 2-(2-chloroethoxy) tetrahydro-2H-pyran | FT-0691199 | 2-(2-Chloroethoxy)tetrahydro-2H-pyran, >=97.0% | 2-(2-chloroethoxy)tetrahydropyran | 2-c

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-(2-Chloroethoxy)tetrahydro-2H-pyran is a building block for introducing a protected 2-hydroxyethyl group.

Specifications

Synonyms

AS-63087 | SY052593 | 2-(2-chloroethoxy)oxane | DTXSID70292031 | 1-chloro-2-[(2-tetrahydropyranyl)-oxy]-ethane | 2-(2-chloroethoxy) tetrahydro-2H-pyran | FT-0691199 | 2-(2-Chloroethoxy)tetrahydro-2H-pyran, >=97.0% | 2-(2-chloroethoxy)tetrahydropyran | 2-c

Specifications & Purity

≥96%(GC)

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

≥96%(GC)

Names and Identifiers

• Canonical Smiles: C1CCOC(C1)OCCCl
• IUPAC Name: 2-(2-chloroethoxy)oxane
• InChIKey: ZVVQFPGYDBUGQB-UHFFFAOYSA-N
• INCHI: 1S/C7H13ClO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
• Isomeric SMILES: C1CCOC(C1)OCCCl
• WGK Germany: 3
• Molecular Weight: 164.63
• Beilstein: 1280441
• Reaxy-Rn: 1280441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280441&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Acetals Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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: air＆heat＆moisture sensitive
• Refractive Index: 1.4570-1.4600
• Flash Point(°F): 149 °F
• Flash Point(°C): 65℃
• Boil Point(°C): 104℃/25mmHg
• Molecular Weight: 164.630 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.06 Da
• Monoisotopic Mass: 164.06 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1