Cas no 3972-26-7 (Isopropanol-2-d1)

Isopropanol-2-d1 structure
Isopropanol-2-d1 structure
Product Name:Isopropanol-2-d1
CAS No:3972-26-7
MF:C3H8O
MW:61.1011829376221
CID:304833
PubChem ID:12213344
Update Time:2025-04-19

Isopropanol-2-d1 Chemical and Physical Properties

Names and Identifiers

    • 2-Propan-2-d-ol(9CI)
    • 2-Propanol-2-d1
    • Isopropanol-2-d1
    • ISOPROPYL ALCOHOL(2-D)
    • DTXSID70480714
    • 2-Propanol-2-d1, 98 atom % D
    • 2-Propanol-2-d
    • 2-Deutero-propan-2-ol
    • 3972-26-7
    • Q63409268
    • 2-deuteriopropan-2-ol
    • 2-Propan-2-d-ol
    • Inchi: 1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3D
    • InChI Key: KFZMGEQAYNKOFK-WFVSFCRTSA-N
    • SMILES: OC([2H])(C)C

Computed Properties

  • Exact Mass: 62.07008
  • Monoisotopic Mass: 61.063791620g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 4
  • Rotatable Bond Count: 0
  • Complexity: 10.8
  • 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: 0.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.785?g/mL?at 25?°C
  • Melting Point: ?89.5?°C(lit.)
  • Boiling Point: 82?°C(lit.)
  • Flash Point: 59?°F
  • Refractive Index: n20/D 1.377(lit.)
  • PSA: 20.23
  • Solubility: Not determined

Isopropanol-2-d1 Security Information

  • Hazardous Material transportation number:UN 1219 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11
  • Safety Instruction: 7-16
  • Hazardous Material Identification: F

Isopropanol-2-d1 Pricemore >>

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