Cas no 29547-04-4 (methyl 2,4-dibromobutanoate)

methyl 2,4-dibromobutanoate structure
methyl 2,4-dibromobutanoate structure
Product Name:methyl 2,4-dibromobutanoate
CAS No:29547-04-4
MF:C5H8Br2O2
MW:259.923820495605
MDL:MFCD00130152
CID:261252
PubChem ID:296716
Update Time:2025-04-19

methyl 2,4-dibromobutanoate Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2,4-dibromo-, methyl ester
    • methyl 2,4-dibromobutanoate
    • Methyl 2,4-dibromobutyrate
    • 2,4-Dibrom-buttersaeure-methylester
    • 2,4-dibromo-butanoic acid methyl ester
    • 2,4-dibromobutyric acid methyl ester
    • 2,4-dibromo-butyric acid methyl ester
    • methyl (+-)-2,4-dibromobutyrate
    • Nsc167181
    • NSC 167181
    • Methyl2,4-dibromobutyrate
    • methyl-2,4-dibromobutyrate
    • KSC494C8B
    • DQHIGEQXJBMKKY-UHFFFAOYSA-N
    • methyl 2,4-bis(bromanyl)butanoate
    • EBD16244
    • STL557622
    • BBL103812
    • 2,4-dibromobutanoic acid methyl ester
    • TRA0038199
    • Butanoic acid,2,4-dibromo-
    • AS-15440
    • DTXSID40990491
    • Butanoic acid,2,4-dibromo-,methyl ester
    • CS-W001109
    • EN300-41947
    • methyl2,4-dibromobutanoate
    • A876435
    • J-522654
    • A836828
    • FT-0699942
    • SY017663
    • AMY30914
    • FT-0641283
    • MFCD00130152
    • SCHEMBL1107132
    • Methyl 2,4-dibromobutyrate, >=97.0% (GC)
    • 70288-65-2
    • PB42483
    • 29547-04-4
    • NSC-167181
    • Butanoic acid, 2,4-dibromo-, methyl ester
    • AKOS015915270
    • DB-049905
    • DB-019882
    • MDL: MFCD00130152
    • Inchi: 1S/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3
    • InChI Key: DQHIGEQXJBMKKY-UHFFFAOYSA-N
    • SMILES: BrC(C(=O)OC)CCBr

Computed Properties

  • Exact Mass: 257.88904
  • Monoisotopic Mass: 257.889
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 95
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.839±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 71 oC (5 Torr)
  • Flash Point: 97.1±23.2 oC,
  • Refractive Index: 1.5084 (589.3 nm 20 oC)
  • Solubility: Slightly soluble (3.1 g/l) (25 o C),
  • PSA: 26.3
  • LogP: 1.70790

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