Cas no 34762-17-9 (diethyl (bromomethyl)propanedioate)

diethyl (bromomethyl)propanedioate structure
34762-17-9 structure
Product Name:diethyl (bromomethyl)propanedioate
CAS No:34762-17-9
MF:C8H13BrO4
MW:253.090422391891
CID:1464506
PubChem ID:13198655
Update Time:2025-04-20

diethyl (bromomethyl)propanedioate Chemical and Physical Properties

Names and Identifiers

    • diethyl (bromomethyl)propanedioate
    • Diethyl (bromomethyl)malonate
    • propanedioic acid, 2-(bromomethyl)-, diethyl ester
    • LogP
    • Diethyl 2-(bromomethyl)malonate
    • diethyl 2-(bromomethyl)propanedioate
    • DB-069069
    • 1,3-DIETHYL 2-(BROMOMETHYL)PROPANEDIOATE
    • SCHEMBL1669735
    • HS-3097
    • 34762-17-9
    • GSFDYMMFCGYFJF-UHFFFAOYSA-N
    • A6098
    • Diethyl2-(bromomethyl)malonate
    • DTXSID30526723
    • AKOS015843265
    • Inchi： 1S/C8H13BrO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h6H,3-5H2,1-2H3
    • InChI Key： GSFDYMMFCGYFJF-UHFFFAOYSA-N
    • SMILES： BrCC(C(=O)OCC)C(=O)OCC

Computed Properties

  • Exact Mass: 251.99969
  • Monoisotopic Mass: 251.99972g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 163
  • 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: 1.7
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.397
  • Boiling Point: 235.4°C at 760 mmHg
  • Flash Point: 96.2°C
  • Refractive Index: 1.468
  • PSA: 52.6

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