Cas no 3153-35-3 (Butanoic acid,4-chloro-, propyl ester)

Butanoic acid,4-chloro-, propyl ester structure
3153-35-3 structure
Product Name:Butanoic acid,4-chloro-, propyl ester
CAS No:3153-35-3
MF:C7H13ClO2
MW:164.629921674728
CID:316706
PubChem ID:123181
Update Time:2025-04-19

Butanoic acid,4-chloro-, propyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-chloro-, propyl ester
    • 4-chloro-butyric acid propyl ester
    • n-Propyl-4-chlorobutyrate
    • Propyl 4-chlorobutanoate
    • AKOS005287843
    • DTXSID50953512
    • Butanoic acid, 4-chloro, propyl ester
    • RGFHUYWGQUDWDL-UHFFFAOYSA-N
    • 3153-35-3
    • SCHEMBL1363658
    • Butanoic acid, 4-chloro-, propyl ester
    • Inchi: 1S/C7H13ClO2/c1-2-6-10-7(9)4-3-5-8/h2-6H2,1H3
    • InChI Key: RGFHUYWGQUDWDL-UHFFFAOYSA-N
    • SMILES: ClCCCC(=O)OCCC

Computed Properties

  • Exact Mass: 164.06049
  • Monoisotopic Mass: 164.060407
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 6
  • Complexity: 93.6
  • 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: 26.3
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.035
  • Boiling Point: 197.4°Cat760mmHg
  • Flash Point: 78.7°C
  • Refractive Index: 1.43
  • PSA: 26.3
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