Phenylacetylene - ≥97% , CAS No.536-74-3

CAS: 536-74-3 Cat. No.: P107030 Summenformel: C₈H₆ Molekulargewicht: 102.13 Beilstein Registry Number: 605461 EG-Nummer: 208-645-1

GRADE & PURITY ≥97%

Synonyms

Phenylethyne | FT-0626367 | NSC4957 | NSC-4957 | InChI=1/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7 | A829727 | ethynyl benzene | ethynylbenzen | AKOS000269051 | Phenylacetylene, purum, >=97.0% (GC) | ETHYNYL-D-BENZENE | NSC 4957 | 239WSR2IBO | ETHYNYL-BENZENE (PHENY

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

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Übersicht

Terminal acetylene used in the conversion of nitrones to alkynyl hydroxyl amines in the presence of trimethylaluminum.Phenylacetylene was used in a study to investigate the mechanism of product formation during the palladium-catalysed phenylacetylene oxidative carbonylation reaction.

Specifications

Synonyme

Phenylethyne | FT-0626367 | NSC4957 | NSC-4957 | InChI=1/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7 | A829727 | ethynyl benzene | ethynylbenzen | AKOS000269051 | Phenylacetylene, purum, >=97.0% (GC) | ETHYNYL-D-BENZENE | NSC 4957 | 239WSR2IBO | ETHYNYL-BENZENE (PHENY

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice,FedEx DG Service

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508816373
• Kanonisches Lächeln: C#CC1=CC=CC=C1
• IUPAC Name: ethynylbenzene
• InChIKey: UEXCJVNBTNXOEH-UHFFFAOYSA-N
• INCHI: 1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
• Isomere SMILES: C#CC1=CC=CC=C1
• WGK Deutschland: 1
• RTECS: DA0780000
• Alternative CAS-Nummer: 126716-66-3
• UN-Nummer: 2920
• Verpackungsgruppe: II
• Molekulargewicht: 102.13
• Beilstein: 605461
• Reaxy-Rn: 605461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605461&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Immiscible with water.
• Empfindlichkeit: Heat & Light & Moisture & air sensitive.
• Brechungsindex: 1.547-1.55
• Flammpunkt (°F): 80.6 °F
• Flammpunkt (°C): 31℃
• Siedepunkt (°C): 142-144°C
• Schmelzpunkt (°C): -44.8°C
• Molekulargewicht: 102.130 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 102.047 Da
• Monoisotopic Mass: 102.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.500
• 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