Cas no 3240-11-7 (Ethynyl-2-d-benzene)

Ethynyl-2-d-benzene structure
Ethynyl-2-d-benzene structure
Product Name:Ethynyl-2-d-benzene
CAS No:3240-11-7
MF:C8H6
MW:103.139403820038
CID:295154
PubChem ID:12198879
Update Time:2025-04-19

Ethynyl-2-d-benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, ethynyl-d-
    • (Ethynyl-d)benzene
    • 1-deuterio-2-phenylacetylene
    • 1-deutero-2-phenylacetylene
    • 1-phenyl-2-deuterioacetylene
    • 2-deutero-1-phenylacetylene
    • ethynylbenzene-d1
    • Phenylacetylene-d
    • phenylacetylene-d1
    • 3240-11-7
    • 2-deuterioethynylbenzene
    • phenylacetylene d
    • DTXSID00480101
    • J-018726
    • ETHYNYL-D-BENZENE
    • Ethynyl-2-d-benzene
    • Phenylacetylene-d, 99 atom % D
    • UEXCJVNBTNXOEH-MICDWDOJSA-N
    • Inchi: 1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H/i1D
    • InChI Key: UEXCJVNBTNXOEH-MICDWDOJSA-N
    • SMILES: C1(C#C[2H])C=CC=CC=1

Computed Properties

  • Exact Mass: 102.04700
  • Monoisotopic Mass: 103.0532269373g/mol
  • Isotope Atom Count: 1
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.939?g/mL?at 25?°C
  • Melting Point: NA
  • Boiling Point: 142-144?°C(lit.)
  • Flash Point: 88?°F
  • Refractive Index: n20/D 1.548(lit.)
  • PSA: 0.00000
  • LogP: 1.66790
  • Vapor Pressure: 7.0±0.1 mmHg at 25°C
  • Solubility: Not determined

Ethynyl-2-d-benzene Security Information

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