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Phenylacetylene-2-13C

Base Information
  • Chemical Name:Phenylacetylene-2-13C
  • CAS No.:54522-92-8
  • Molecular Formula:C8H6
  • Molecular Weight:103.125
  • Hs Code.:
  • European Community (EC) Number:690-613-5
  • DSSTox Substance ID:DTXSID60480102
  • Nikkaji Number:J2.033.051A
  • Wikidata:Q82314632
  • Mol file:54522-92-8.mol
Phenylacetylene-2-13C

Synonyms:Phenylacetylene-2-13C;54522-92-8;(213C)ethynylbenzene;Ethynyl-2-13C-benzene;DTXSID60480102;Phenylacetylene-2-13C, 99 atom % 13C

Suppliers and Price of Phenylacetylene-2-13C
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • Ethynyl-2-13C-benzene
  • 10mg
  • $ 460.00
  • TRC
  • Ethynyl-2-13C-benzene
  • 10mg
  • $ 185.00
  • Sigma-Aldrich
  • Phenylacetylene-2-13C 99 atom %
  • 1g
  • $ 1820.00
  • American Custom Chemicals Corporation
  • PHENYLACETYLENE-2-13C 95.00%
  • 1G
  • $ 2140.51
Total 2 raw suppliers
Chemical Property of Phenylacetylene-2-13C
Chemical Property:
  • Boiling Point:142-144 °C(lit.) 
  • Flash Point:27 °C 
  • PSA:0.00000 
  • Density:0.939 g/mL at 25 °C 
  • LogP:1.66790 
  • Storage Temp.:Refrigerator 
  • Solubility.:Chloroform (Slightly), Methanol (Slightly) 
  • XLogP3:2.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Rotatable Bond Count:1
  • Exact Mass:103.050305027
  • Heavy Atom Count:8
  • Complexity:98.5
Purity/Quality:

99% *data from raw suppliers

Ethynyl-2-13C-benzene *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes:Xn 
  • Statements: 10-36/37/38-40-65-22 
  • Safety Statements: 16-26-36/37/39-45-62 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C#CC1=CC=CC=C1
  • Isomeric SMILES:[13CH]#CC1=CC=CC=C1
  • Uses Ethynyl-2-13C-benzene, is the labeled analogue of Ethynylbenzene (E932150), which is an aromatic hydrocarbon, is important in the petrochemical industry as an intermediate in the production of styrene, which in turn is used for making polystyrene, a common plastic material.
Technology Process of Phenylacetylene-2-13C

There total 11 articles about Phenylacetylene-2-13C which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
acetophenone-β-13C; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;
With diethyl chlorophosphate; In tetrahydrofuran; hexane; at -78 - 25 ℃; for 0.5h; Inert atmosphere;
With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 25 ℃; for 3h; Inert atmosphere;
DOI:10.1021/ja501738a
Guidance literature:
With sodium amide; In diethyl ether; ammonia; at -78 ℃; for 3h; Yield given;
DOI:10.1021/ja00330a046
Guidance literature:
Multi-step reaction with 3 steps
1.1: 65 percent / pyridinium chlorochromate; HIO4*2H2O / acetonitrile / 2 h
2.1: lithium diisopropylamide / tetrahydrofuran; hexane / 1 h
2.2: tetrahydrofuran; hexane / -78 - 20 °C
3.1: lithium diisopropylamide / tetrahydrofuran; hexane / 3 h / -78 - 20 °C
3.2: aq. HCl / tetrahydrofuran; hexane
With periodic acid; pyridinium chlorochromate; lithium diisopropyl amide; In tetrahydrofuran; hexane; acetonitrile;
DOI:10.1021/jo070537w
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