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

CAS: 4039-82-1 Cat. No.: P589024 Summenformel: C₁₀H₁₀O Molekulargewicht: 146.19 EG-Nummer: 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

Übersicht

Product Application:

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

Specifications

Synonyme

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 |

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508816338

Kanonisches Lächeln

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

Isomere SMILES

C#CCOCC1=CC=CC=C1

PubChem CID

6917484

Molekulargewicht

146.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform.
• Empfindlichkeit: Air sensitive;Heat sensitive
• Brechungsindex: 1.5200
• Siedepunkt (°C): 101 °C/18 mmHg
• Molekulargewicht: 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