Cas no 78444-18-5 (3-(2,3-dichlorophenyl)prop-2-enal)

3-(2,3-dichlorophenyl)prop-2-enal structure
78444-18-5 structure
Product Name:3-(2,3-dichlorophenyl)prop-2-enal
CAS No:78444-18-5
MF:C9H6Cl2O
MW:201.049340724945
CID:562720
PubChem ID:5706772
Update Time:2025-04-19

3-(2,3-dichlorophenyl)prop-2-enal Chemical and Physical Properties

Names and Identifiers

    • 2-Propenal,3-(2,3-dichlorophenyl)-, (2E)-
    • (E)-3-(2,3-dichlorophenyl)prop-2-enal
    • 2,3-DICHLOROCINNAMALDEHYDE
    • 3-(2,3-dichlorophenyl)prop-2-enal
    • 3-(2,3-Dichlorophenyl)acrylaldehyde
    • EN300-1246561
    • SCHEMBL10442856
    • CS-0349903
    • 78444-18-5
    • DTXSID40420728
    • Inchi: 1S/C9H6Cl2O/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-6H/b4-2+
    • InChI Key: DBEMJHDYRHMHEX-DUXPYHPUSA-N
    • SMILES: ClC1C(=CC=CC=1/C=C/C=O)Cl

Computed Properties

  • Exact Mass: 199.98000
  • Monoisotopic Mass: 199.98
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 179
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.325
  • Boiling Point: 329.5 oC at 760 mmHg
  • Flash Point: 138.8 oC
  • Refractive Index: 1.603
  • PSA: 17.07000
  • LogP: 3.20550

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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