Cas no 55724-42-0 (1-Bromobutane-d3)

1-Bromobutane-d3 structure
1-Bromobutane-d3 structure
Product Name:1-Bromobutane-d3
CAS No:55724-42-0
MF:C4H9Br
MW:140.036745786667
CID:944407
PubChem ID:12236151
Update Time:2025-09-27

1-Bromobutane-d3 Chemical and Physical Properties

Names and Identifiers

    • 1-bromobutane-4,4,4-d3
    • 1-Bromobutane-d3
    • 4-bromo-1,1,1-trideuteriobutane
    • DTXSID40481753
    • 4-bromo-1,1,1-trideuterio-butane
    • Butyl Bromide-d3
    • 1-Bromobutane-d3; 1-Butyl Bromide-d3; Butyl Bromide-d3; n-Butyl Bromide-d3; 4-Bromobutane-1,1,1-d3;
    • 1-Bromobutane-d3; 1-Butyl Bromide-d3; Butyl Bromide-d3; n-Butyl Bromide-d3; 4-Bromobutane-1,1,1-d3;
    • D99689
    • 1-bromo(4,4,4-?H?)butane
    • 55724-42-0
    • 1-Bromobutane-4,4,4-d3, 98 atom % D
    • Inchi: 1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3/i1D3
    • InChI Key: MPPPKRYCTPRNTB-FIBGUPNXSA-N
    • SMILES: BrCCCC([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 139.00800
  • Monoisotopic Mass: 139.00759g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 2
  • Complexity: 13.1
  • 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: 2.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.303?g/mL?at 25?°C
  • Melting Point: -112?°C(lit.)
  • Boiling Point: 100-104?°C(lit.)
  • Flash Point: 22?°C
  • PSA: 0.00000
  • LogP: 2.18140
  • Vapor Pressure: 40.3±0.2 mmHg at 25°C

1-Bromobutane-d3 Security Information

1-Bromobutane-d3 Pricemore >>

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1-Bromobutane-d3 Production Method

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