Cas no 4301-04-6 (Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl-)

Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl- structure
4301-04-6 structure
Product Name:Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl-
CAS No:4301-04-6
MF:C5H7Cl3O
MW:189.467478990555
MDL:MFCD00018808
CID:1517599
PubChem ID:4321027
Update Time:2025-04-21

Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl-
    • AKOS024334256
    • 4301-04-6
    • 2,2-Bis(chloromethyl)propanoyl chloride
    • 3-chloro-2-(chloromethyl)-2-methylpropanoyl chloride
    • MFCD00018808
    • alpha,alpha-bischloromethyl propionyl chloride
    • AC6135
    • SCHEMBL1114745
    • SY237733
    • GTJUHRDCMURWFN-UHFFFAOYSA-N
    • MDL: MFCD00018808
    • Inchi: 1S/C5H7Cl3O/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3
    • InChI Key: GTJUHRDCMURWFN-UHFFFAOYSA-N
    • SMILES: ClCC(C(=O)Cl)(C)CCl

Computed Properties

  • Exact Mass: 187.95641
  • Monoisotopic Mass: 187.956
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 109
  • 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
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 231.2±20.0 °C at 760 mmHg
  • Flash Point: 93.5±22.3 °C
  • PSA: 17.07
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

Propanoyl chloride, 3-chloro-2-(chloromethyl)-2-methyl- Security Information

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