Product Name

  • Name

    sodium acetrizoate

  • EINECS 204-956-1
  • CAS No. 129-63-5
  • Density
  • Solubility
  • Melting Point
  • Formula C9H5I3NNaO3
  • Boiling Point 547.1 °C at 760 mmHg
  • Molecular Weight 578.847
  • Flash Point 284.7 °C
  • Transport Information
  • Appearance
  • Safety Mildly toxic by intravenous route. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and HI.
  • Risk Codes
  • Molecular Structure Molecular Structure of 129-63-5 (sodium acetrizoate)
  • Hazard Symbols
  • Synonyms Benzoicacid, 3-(acetylamino)-2,4,6-triiodo-, monosodium salt (9CI);Benzoic acid,3-acetamido-2,4,6-triiodo-, monosodium salt (8CI);Benzoic acid,3-acetamido-2,4,6-triiodo-, sodium salt (6CI,7CI);
  • PSA 69.23000
  • LogP 1.89530

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Chemical Properties

Molecule structure of 3-Acetamido-2,4,6-triiodobenzoic acid sodium salt (CAS NO.129-63-5) :

IUPAC Name: Sodium 3-acetamido-2,4,6-triiodobenzoate 
Molecular Weight: 578.84408 g/mol
Molecular Formula: C9H5I3NNaO3 
Boiling Point: 547.1 °C at 760 mmHg
Flash Point: 284.7 °C
Enthalpy of Vaporization: 86.96 kJ/mol
Vapour Pressure: 8.39E-13 mmHg at 25 °C 
log P (octanol-water): 2.260
Water Solubility: 9.42E+05 mg/L 
Atmospheric OH Rate Constant: 7.30E-13 cm3/molecule-sec
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 578.730117
MonoIsotopic Mass: 578.730117
Topological Polar Surface Area: 69.2
Heavy Atom Count: 17
Complexity: 305
Canonical SMILES: CC(=O)NC1=C(C=C(C(=C1I)C(=O)[O-])I)I.[Na+]
InChI: InChI=1S/C9H6I3NO3.Na/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;/h2H,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKey: UCPVOMHRDXMAIZ-UHFFFAOYSA-M
EINECS: 204-956-1

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Toxicity Data With Reference

1.    

ivn-mus LD50:9956 mg/kg

     JACSAT    Journal of the American Chemical Society. 74 (1952),4365.
2.    

ims-mus LD50:12,156 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 117 (1956),307.
3.    

ivn-rat LDLo:7500 mg/kg CLDND*
4.    

ivn-dog LD50:6300 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 116 (1956),394.
5.    

ivn-cat LD50:5650 mg/kg CLDND*
6.    

ivn-rbt LD50:5200 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 116 (1956),394.

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Safety Profile

Mildly toxic by intravenous route. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and HI.

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Specification

 3-Acetamido-2,4,6-triiodobenzoic acid sodium salt (CAS NO.129-63-5) is also called 2,4,6-Trijod-3-acetaminobenzosaeure natrium [German] ; Acetrizoate de sodium [INN-French] ; Acetrizoate sodium ; Acetrizoic acid sodium salt ; Acidum acetrizoicum ; Bronchoselectan ; Cystokon ; Iodopaque ; Natrii acetrizoas [INN-Latin] ; Pyelokon-R ; Sodium 3-acetamido-2,4,6-triiodobenzoate ; Sodium acetrizoate ; Triopac 200 ; Triopas ; Triumbren ; Urokon Sodium ; Vesamin . 3-Acetamido-2,4,6-triiodobenzoic acid sodium salt (CAS NO.129-63-5) is low toxic. It is flammable. It will produce highly toxic nitrogen oxides, and oxidation of sodium iodide smoke by heat. So the storage environment should be ventilate, low-temperature and dry.

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