Cas no 38274-25-8 (1,4-Butane-2,2,3,3-d4-diol(7CI,9CI))

1,4-Butane-2,2,3,3-d4-diol (7CI,9CI) is a deuterated derivative of 1,4-butanediol, where four hydrogen atoms are replaced with deuterium at the 2 and 3 positions. This isotopic labeling enhances its utility in NMR spectroscopy and mechanistic studies, providing distinct spectral signatures for precise molecular tracking. The compound retains the chemical reactivity of its non-deuterated counterpart, making it valuable in synthetic applications where isotopic labeling is required. Its high isotopic purity and stability under standard conditions ensure reliable performance in research involving kinetic isotope effects, metabolic studies, and deuterium-labeled intermediate synthesis. Suitable for specialized organic and pharmaceutical research, it offers researchers a tool for detailed structural and reaction analysis.
1,4-Butane-2,2,3,3-d4-diol(7CI,9CI) structure
38274-25-8 structure
Product Name:1,4-Butane-2,2,3,3-d4-diol(7CI,9CI)
CAS No:38274-25-8
MF:C4H10O2
MW:94.1456484794617
CID:304830
PubChem ID:12218980
Update Time:2025-06-07

1,4-Butane-2,2,3,3-d4-diol(7CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butane-2,2,3,3-d4-diol(7CI,9CI)
    • 1,4-Butanediol-2,2,3,3-d4
    • DTXSID70481004
    • 1,4-Butanediol-2,2,3,4-D4 (D, 98%)
    • 1,4-butane-2,2,3,3-d4-diol
    • 2,2,3,3-tetradeuteriobutane-1,4-diol
    • 38274-25-8
    • 1,4-Butanediol-2,2,3,3-d4, 98 atom % D
    • 1,4-BUTANEDIOL-2,2,3,3-D4-D
    • AT40947
    • BUTANE-2,2,3,3-D4-1,4-DIOL
    • Inchi： 1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D2,2D2
    • InChI Key： WERYXYBDKMZEQL-LNLMKGTHSA-N
    • SMILES： OCC([2H])([2H])C([2H])([2H])CO

Computed Properties

  • Exact Mass: 94.093186541g/mol
  • Monoisotopic Mass: 94.093186541g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 3
  • Complexity: 17.5
  • 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: 40.5?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.062?g/mL?at 25?°C
  • Melting Point: 16?°C(lit.)
  • Boiling Point: 230?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.4452(lit.)
  • PSA: 40.46000
  • LogP: -0.24880
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

1,4-Butane-2,2,3,3-d4-diol(7CI,9CI) Security Information

1,4-Butane-2,2,3,3-d4-diol(7CI,9CI) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
B874417-10mg
1,4-Butane-2,2,3,3-d4-diol
 38274-25-8 AR
10mg
 ￥613.00 2022-09-02

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