Cas no 5468-93-9 (Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester)

Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester structure
5468-93-9 structure
Product Name:Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester
CAS No:5468-93-9
MF:C8H12Br2O4
MW:331.986481666565
CID:378901
PubChem ID:225818
Update Time:2025-04-19

Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester
    • 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate
    • AC1L5EB9
    • AC1Q686S
    • AG-K-82837
    • AR-1I7354
    • CTK5A2286
    • ethane-1,2-diyl bis(2-bromopropanoate)
    • NSC15643
    • NSC-15643
    • ethylene glycol bis(2-bromopropionate)
    • DTXSID301144082
    • 200192-34-3
    • 5468-93-9
    • DTXSID80280121
    • SCHEMBL435016
    • Inchi: 1S/C8H12Br2O4/c1-5(9)7(11)13-3-4-14-8(12)6(2)10/h5-6H,3-4H2,1-2H3
    • InChI Key: OBNPDQQJYLNJPU-UHFFFAOYSA-N
    • SMILES: BrC(C)C(=O)OCCOC(C(C)Br)=O

Computed Properties

  • Exact Mass: 329.91000
  • Monoisotopic Mass: 329.91
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.705
  • Boiling Point: 326.1°C at 760 mmHg
  • Flash Point: 151°C
  • Refractive Index: 1.508
  • PSA: 52.60000
  • LogP: 1.63960
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