Cas no 31166-18-4 (Aluminum,tris[(2,4-dichlorophenoxy)acetato-O1,O2]- (9CI))

Aluminum,tris[(2,4-dichlorophenoxy)acetato-O1,O2]- (9CI) structure
31166-18-4 structure
Product Name:Aluminum,tris[(2,4-dichlorophenoxy)acetato-O1,O2]- (9CI)
CAS No:31166-18-4
MF:C24H15AlCl6O9
MW:687.070040941238
CID:308918
PubChem ID:134955
Update Time:2025-04-19

Aluminum,tris[(2,4-dichlorophenoxy)acetato-O1,O2]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Aluminum,tris[(2,4-dichlorophenoxy)acetato-O1,O2]- (9CI)
    • 2,4-Dichlorophenoxyacetic acide amine salt
    • Aluminium tris(2,4-dichlorophenoxyacetate)
    • aluminum tris[(2,4-dichlorophenoxy)acetate]
    • EINECS 250-497-5
    • 31166-18-4
    • NS00083911
    • Aluminum tris(2,4-dichlorophenoxyacetate)
    • Inchi: 1S/3C8H6Cl2O3.Al/c3*9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h3*1-3H,4H2,(H,11,12);/q;;;+3/p-3
    • InChI Key: TZTFXNGHLVIMAM-UHFFFAOYSA-K
    • SMILES: ClC1C=C(C=CC=1OCC(=O)[O-])Cl.ClC1C=C(C=CC=1OCC(=O)[O-])Cl.ClC1C=C(C=CC=1OCC(=O)[O-])Cl.[Al+3]

Computed Properties

  • Exact Mass: 683.86645
  • Monoisotopic Mass: 683.866262g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 6
  • Complexity: 181
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 148?2

Experimental Properties

  • PSA: 148.08
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