Cas no 25837-47-2 (Phenylacetylene-d6)

Phenylacetylene-d6 structure
Phenylacetylene-d6 structure
Product Name:Phenylacetylene-d6
CAS No:25837-47-2
MF:C8H6
MW:108.170212268829
CID:253903
PubChem ID:16213745
Update Time:2025-04-19

Phenylacetylene-d6 Chemical and Physical Properties

Names and Identifiers

    • Benzene-d5, ethynyl-d-(8CI,9CI)
    • 513946_ALDRICH
    • Ethinylbenzol-d6
    • Ethynylbenzene-d6
    • pentadeuterio-deuterioethynyl-benzene
    • Perdeuteriophenylacetylen
    • Phenylacetylen-d6
    • Phenylacetylene-d6
    • CS-0505992
    • 1,2,3,4,5-pentadeuterio-6-(2-deuterioethynyl)benzene
    • DTXSID90584102
    • Benzene-D5,ethynyl-d-(8ci,9ci)
    • HY-W394282
    • 25837-47-2
    • 1, 2, 3, 4, 5-pentadeuterio-6-(2-deuterioethynyl)benzene
    • J-016147
    • 1-(Ethynyl-d)benzene-2,3,4,5,6-d5
    • Phenylacetylene-d6, 95 atom % D
    • D98999
    • 1-(~2~H)Ethynyl(~2~H_5_)benzene
    • DA-69039
    • Benzene-1,2,3,4,5-d5, 6-(ethynyl-2-d)- (ACI); 6-(Ethynyl-2-d)benzene-1,2,3,4,5-d5 (ACI); Benzene-d5, ethynyl-d- (8CI, 9CI); Phenyl-d5-acetylene-d; Ethynylbenzene-d6; Phenylacetylene-d6
    • (2H)Ethynyl(2H5)benzene
    • Inchi: 1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H/i1D,3D,4D,5D,6D,7D
    • InChI Key: UEXCJVNBTNXOEH-HLGHPJLRSA-N
    • SMILES: C1(C#C[2H])C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 108.0846106671g/mol
  • Monoisotopic Mass: 108.0846106671g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 98.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: liquid
  • Density: 0.984?g/mL?at 25?°C(lit.)
  • Boiling Point: 142-144?°C(lit.)
  • Flash Point: 88?°F
  • Refractive Index: n20/D 1.457(lit.)
  • Solubility: Not available

Phenylacetylene-d6 Security Information

Phenylacetylene-d6 Pricemore >>

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