Cas no 25800-30-0 (propyl 4-chlorobenzoate)

propyl 4-chlorobenzoate structure
propyl 4-chlorobenzoate structure
Product Name:propyl 4-chlorobenzoate
CAS No:25800-30-0
MF:C10H11ClO2
MW:198.646142244339
CID:281529
PubChem ID:347840
Update Time:2025-04-19

propyl 4-chlorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-chloro-, propyl ester
    • propyl 4-chlorobenzoate
    • Benzoic acid, 4-chloro, propyl ester
    • SCHEMBL197459
    • BLEFFSGNRQPNCA-UHFFFAOYSA-N
    • AKOS008947740
    • NSC 406728
    • DTXSID60324436
    • EN300-115135
    • 4-Chlorobenzoic acid, propyl ester
    • NSC406728
    • NSC-406728
    • 4-chloro-benzoic acid propyl ester
    • Z53833147
    • 25800-30-0
    • Propyl4-chlorobenzoate
    • Inchi: 1S/C10H11ClO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
    • InChI Key: BLEFFSGNRQPNCA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C(=O)OCCC

Computed Properties

  • Exact Mass: 198.04483
  • Monoisotopic Mass: 198.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 162
  • 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
  • XLogP3: 4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.152
  • Boiling Point: 256.3°Cat760mmHg
  • Flash Point: 116.8°C
  • Refractive Index: 1.517
  • PSA: 26.3
  • LogP: 2.90680

propyl 4-chlorobenzoate Pricemore >>

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