Cas no 3681-30-9 (Ethane-d5(6CI,7CI,8CI,9CI))

Ethane-d5(6CI,7CI,8CI,9CI) structure
Ethane-d5(6CI,7CI,8CI,9CI) structure
Product Name:Ethane-d5(6CI,7CI,8CI,9CI)
CAS No:3681-30-9
MF:C2H6
MW:35.0998492240906
CID:296304
PubChem ID:24872467
Update Time:2025-04-19

Ethane-d5(6CI,7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethane-d5(6CI,7CI,8CI,9CI)
    • Ethane-d5
    • Ethane-d5, 99 atom % D
    • DTXSID30476552
    • 1,1,1,2,2-pentadeuterioethane
    • 3681-30-9
    • MDL: MFCD00084141
    • Inchi: 1S/C2H6/c1-2/h1-2H3/i1D2,2D3
    • InChI Key: OTMSDBZUPAUEDD-KPAILUHGSA-N
    • SMILES: C([2H])([2H])([2H])C([2H])[2H]

Computed Properties

  • Exact Mass: 40.10968
  • Monoisotopic Mass: 35.0783339211g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 2
  • Rotatable Bond Count: 0
  • Complexity: 0
  • 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: 1.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: ?172?°C (lit.)
  • Boiling Point: ?88?°C(lit.)
  • Flash Point: Degrees Fahrenheit:-211°F
    Degrees Celsius:-135°C
  • PSA: 0
  • Solubility: Not determined
  • Vapor Pressure: 37.95 atm ( 21.1 °C)

Ethane-d5(6CI,7CI,8CI,9CI) Security Information

  • Symbol: GHS02 GHS04
  • Signal Word:Danger
  • Hazard Statement: H220-H280
  • Warning Statement: P210-P377-P381-P410+P403
  • Hazardous Material transportation number:UN1035 - class 2 - Ethane
  • WGK Germany:3
  • Hazard Category Code: 12
  • Safety Instruction: 16
  • Hazardous Material Identification: F+

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