Cas no 6944-63-4 (Benzoic acid,4-chloro-, nickel(2+) salt (2:1))

Benzoic acid,4-chloro-, nickel(2+) salt (2:1) structure
6944-63-4 structure
Product Name:Benzoic acid,4-chloro-, nickel(2+) salt (2:1)
CAS No:6944-63-4
MF:C7H5ClNiO2
MW:215.25980257988
CID:511606
PubChem ID:54598813
Update Time:2025-04-19

Benzoic acid,4-chloro-, nickel(2+) salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-chloro-, nickel(2+) salt (2:1)
    • Benzoicacid, 4-chloro-, nickel(2+) salt (9CI)
    • 4-chlorobenzoic acid,nickel
    • NSC58964
    • NSC-58964
    • NSC176128
    • DTXSID90712564
    • 4-Chlorobenzoic acid--nickel (1/1)
    • 6944-63-4
    • NSC-176128
    • Inchi: 1S/C7H5ClO2.Ni/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);
    • InChI Key: DKOIXUGWUOSKRH-UHFFFAOYSA-N
    • SMILES: [Ni].ClC1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 213.933
  • Monoisotopic Mass: 213.933
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 128
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Density: 1.374
  • Melting Point: 243 DEG C
  • Boiling Point: 287.2°Cat760mmHg
  • Flash Point: 127.5°C
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