ChemSpider 2D Image | 3-Amino-2,4,6-triiodobenzoic acid | C7H4I3NO2

3-Amino-2,4,6-triiodobenzoic acid

  • Molecular FormulaC7H4I3NO2
  • Average mass514.826 Da
  • Monoisotopic mass514.737610 Da
  • ChemSpider ID17363

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

221-493-0 [EINECS]
3119-15-1 [RN]
3-Amino-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Amino-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-amino-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-2,4,6-triiodo- [ACD/Index Name]
[3119-15-1] [RN]
3-Amino-2,4,6- Trijodbenzoes??ure

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00007681 [DBID]
BRN 2113495 [DBID]
NSC 60105 [DBID]
NSC60105 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      22-36/37/38 Alfa Aesar B23405
      26-36/37 Alfa Aesar B23405
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar B23405
      H302-H315-H319-H335 Alfa Aesar B23405
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar B23405
      Warning Alfa Aesar B23405
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar B23405

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 3.0±0.1 g/cm3
Boiling Point: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.850
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 88.0±3.0 dyne/cm
Molar Volume: 170.5±3.0 cm3

Click to predict properties on the Chemicalize site