Cas no 114192-09-5 (Methyl 2-Chloro-3-oxovalerate)

Methyl 2-Chloro-3-oxovalerate structure
Methyl 2-Chloro-3-oxovalerate structure
Product Name:Methyl 2-Chloro-3-oxovalerate
CAS No:114192-09-5
MF:C6H9ClO3
MW:164.586861371994
MDL:MFCD00671584
CID:106210
PubChem ID:545096
Update Time:2025-04-18

Methyl 2-Chloro-3-oxovalerate Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,2-chloro-3-oxo-, methyl ester
    • Methyl 2-chloro-3-oxopentanoate
    • 2-chloro-3-oxo-pentanoic acid methyl ester
    • 2-Cl-PEM
    • methyl 2-chloro-2,4-dioxopentanoate
    • Methyl 2-chloro-2-propionylacetate
    • methyl 2-chloro-3-oxo-pentanoate
    • Methyl 2-chloro-3-oxovalerate
    • METHYL 2-CHLORO-3-OXOCALERATE
    • 2-Chloropropionylacetic acid methyl ester
    • 2-Cl-PEM, Methyl 2-chloro-2-propionylacetate
    • METHYL 2-CHLORO-3-OXOPENTANOATE, WACKER QUALITY
    • CS-0197790
    • SCHEMBL1398170
    • 114192-09-5
    • DTXSID40337847
    • AKOS011317451
    • 2-chloro-3-oxopentanoic acid methyl ester
    • AS-79990
    • D86386
    • Methyl2-chloro-3-oxovalerate
    • 2-chloro-3-oxopentanoic acid methylester
    • MFCD00671584
    • methyl 2-chloro-3-oxo-valerate
    • Pentanoic acid, 2-chloro-3-oxo-, methyl ester
    • EN300-59729
    • J-003059
    • DTXCID70288934
    • ALBB-036374
    • Methyl 2-Chloro-3-oxovalerate
    • MDL: MFCD00671584
    • Inchi: 1S/C6H9ClO3/c1-3-4(8)5(7)6(9)10-2/h5H,3H2,1-2H3
    • InChI Key: HQKDHMCNAMQTFI-UHFFFAOYSA-N
    • SMILES: ClC(C(=O)OC)C(CC)=O

Computed Properties

  • Exact Mass: 164.02400
  • Monoisotopic Mass: 164.0240218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 144
  • 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

  • Density: 1.199?g/mL?at 20?°C(lit.)
  • Boiling Point: 77-79?°C13?hPa(lit.)
  • Flash Point: 100?°C
  • Refractive Index: 1.434
  • PSA: 43.37000
  • LogP: 0.74590

Methyl 2-Chloro-3-oxovalerate Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26
  • FLUKA BRAND F CODES:19
  • Hazardous Material Identification: Xi
  • Safety Term:S26-36
  • Risk Phrases:R36/37/38

Methyl 2-Chloro-3-oxovalerate Pricemore >>

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