Cas no 130208-38-7 (3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI))

3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI) structure
130208-38-7 structure
Product Name:3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI)
CAS No:130208-38-7
MF:C10H10O
MW:150.210449695587
CID:102728
PubChem ID:16213775
Update Time:2025-04-18

3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI)
    • (E)-1,1,1,3-tetradeuterio-4-phenylbut-3-en-2-one
    • BENZALACETONE-D4
    • 1,1,1,3-tetradeuterio-4-phenyl-but-3-en-2-one
    • 517895_ALDRICH
    • benzylideneacetone-d4
    • d(4)-Benzalaceton
    • trans-4-Phenyl-3-buten-2-one-1,1,1,3-d4
    • benzalacetone-d4, benzylideneacetone-d4
    • DTXSID00584113
    • 130208-38-7
    • J-005761
    • trans-4-Phenyl-3-buten-2-one-1,1,1,3-d4, 97 atom % D
    • SCHEMBL1332552
    • (3E)-4-Phenyl(1,1,1,3-~2~H_4_)but-3-en-2-one
    • Inchi: 1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+/i1D3,7D
    • InChI Key: BWHOZHOGCMHOBV-UGHRQIHESA-N
    • SMILES: O=C(C([2H])([2H])[2H])/C(/[2H])=C/C1C=CC=CC=1

Computed Properties

  • Exact Mass: 150.098271922g/mol
  • Monoisotopic Mass: 150.098271922g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.042
  • Melting Point: 39-42?°C(lit.)
  • Boiling Point: 260-262?°C(lit.)
  • Flash Point: 150?°F
  • Refractive Index: 1.563
  • PSA: 17.07000
  • LogP: 2.28880

3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI) Security Information

  • Hazardous Material transportation number:UN 1325 4.1/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-36/37/38-42/43
  • Safety Instruction: 16-26-36
  • Hazardous Material Identification: F Xn
  • Risk Phrases:R11
  • Safety Term:S16-26-36

3-Buten-2-one-1,1,1,3-d4,4-phenyl- (9CI) Pricemore >>

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