Benzyl Propargyl Ether - ≥97% , CAS No.4039-82-1

CAS: 4039-82-1 Cat. No.: P589024 Molecular Weight: 146.19 EC Number: 688-068-3 PubChem CID: 6917484

GRADE & PURITY ≥97%

Synonyms

Propargyl Benzyl Ether | propargylbenzyl ether | Benzyl propargyl ether | 3-benzyloxy-1-propyne | BENZYL 2-PROPYNYL ETHER | FT-0690527 | Benzene, [(2-propynyloxy)methyl]- | Prop-2-ynyloxymethyl-benzene | CMLDBU00003569 | ((prop-2-ynyloxy)methyl)benzene |

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Product Application:

Benzyl propargyl ether is used in the synthesis of substituted carbocyclic aromatic compounds and pharmaceutical compounds.

Specifications

Synonyms

Propargyl Benzyl Ether | propargylbenzyl ether | Benzyl propargyl ether | 3-benzyloxy-1-propyne | BENZYL 2-PROPYNYL ETHER | FT-0690527 | Benzene, [(2-propynyloxy)methyl]- | Prop-2-ynyloxymethyl-benzene | CMLDBU00003569 | ((prop-2-ynyloxy)methyl)benzene |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged, Desiccated

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: C#CCOCC1=CC=CC=C1
• IUPAC Name: prop-2-ynoxymethylbenzene
• InChIKey: PAQVEXAFKDWGOT-UHFFFAOYSA-N
• INCHI: 1S/C10H10O/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2
• Isomeric SMILES: C#CCOCC1=CC=CC=C1
• PubChem CID: 6917484
• Molecular Weight: 146.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Acetylide - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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 chloroform.
• Sensitivity: Air sensitive;Heat sensitive
• Refractive Index: 1.5200
• Boil Point(°C): 101 °C/18 mmHg
• Molecular Weight: 146.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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