Cas no 34329-73-2 (methyl 3-bromo-2-oxo-butanoate)

methyl 3-bromo-2-oxo-butanoate structure
34329-73-2 structure
Product Name:methyl 3-bromo-2-oxo-butanoate
CAS No:34329-73-2
MF:C5H7BrO3
MW:195.011281251907
MDL:MFCD11227208
CID:1011560
PubChem ID:329826136
Update Time:2025-04-20

methyl 3-bromo-2-oxo-butanoate Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-2-oxo-butyric acid methyl ester
    • 3-Bromo-2-oxobutanoic Acid Methyl Ester
    • methyl 3-bromo-2-oxobutanoate
    • 3-bromo-2-oxobutyric acid methyl ester
    • AG-C-82404
    • CTK6I6863
    • HYDCQMJFDPQCJH-UHFFFAOYSA-
    • methyl 3-bromo-2-ketobutyrate
    • methyl 3-bromo-2-oxobutyrate
    • QC-10763
    • SBB091819
    • methyl 3-bromo-2-oxo-butanoate
    • 3-bromo-2-oxo-butanoic acid methyl ester
    • F13543
    • SCHEMBL286748
    • 3-bromo-2-oxobutanoic acid methylester
    • EN300-115517
    • SB36727
    • AKOS006323924
    • A847162
    • DA-32725
    • SY096671
    • methyl3-bromo-2-oxobutanoate
    • MFCD11227208
    • Butanoic acid, 3-bromo-2-oxo-, methyl ester
    • InChI=1/C5H7BrO3/c1-3(6)4(7)5(8)9-2/h3H,1-2H3
    • DTXSID40457933
    • 3-Bromo-2-oxobutyric acid methyl ester, AldrichCPR
    • HYDCQMJFDPQCJH-UHFFFAOYSA-N
    • 34329-73-2
    • MDL: MFCD11227208
    • Inchi: 1S/C5H7BrO3/c1-3(6)4(7)5(8)9-2/h3H,1-2H3
    • InChI Key: HYDCQMJFDPQCJH-UHFFFAOYSA-N
    • SMILES: BrC(C(C(=O)OC)=O)C

Computed Properties

  • Exact Mass: 193.95781
  • Monoisotopic Mass: 193.95786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 132
  • 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: 1.2
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
  • LogP: 0.51190

methyl 3-bromo-2-oxo-butanoate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-43-52
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xn

methyl 3-bromo-2-oxo-butanoate Pricemore >>

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