Cas no 175540-76-8 (1-chlorobutane-d9)

1-chlorobutane-d9 structure
1-chlorobutane-d9 structure
Product Name:1-chlorobutane-d9
CAS No:175540-76-8
MF:C4H9Cl
MW:101.622715711594
CID:906347
PubChem ID:71309222
Update Time:2025-04-19

1-chlorobutane-d9 Chemical and Physical Properties

Names and Identifiers

    • 1-chlorobutane-d9
    • BUTYL-D9 CHLORIDE
    • 1-chloro-1,1,2,2,3,3,4,4,4-nonadeuterio-butane
    • 1-chloro(?H?)butane
    • DB-301380
    • 1-Chloro(~2~H_9_)butane
    • 1-Chlorobutane-d9, 98 atom % D
    • D98480
    • DTXSID90745791
    • 1-chloro-1,1,2,2,3,3,4,4,4-nonadeuteriobutane
    • 175540-76-8
    • Inchi: 1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2
    • InChI Key: VFWCMGCRMGJXDK-YNSOAAEFSA-N
    • SMILES: ClC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 101.0957687g/mol
  • Monoisotopic Mass: 101.0957687g/mol
  • Isotope Atom Count: 9
  • 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: 2.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.971?g/mL?at 25?°C
  • Melting Point: -123?°C(lit.)
  • Boiling Point: 77-78?°C(lit.)

1-chlorobutane-d9 Security Information

  • Hazard Category Code: 11
  • Safety Instruction: 9-16-29
  • Hazardous Material Identification: F

1-chlorobutane-d9 Pricemore >>

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