3119-15-1

Name 3-Amino-2,4,6-triiodobenzoic acid
CAS 3119-15-1
EINECS(EC#) 221-493-0
Molecular Formula C7H4I3NO2
MDL Number MFCD00007681
Molecular Weight 514.83
MOL File 3119-15-1.mol
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Chemical Properties

Appearance Light yellow to tan powder
Melting point  196-199 °C
Boiling point  478.9±45.0 °C(Predicted)
density  2.7479 (estimate)
vapor pressure  0.001Pa at 25℃
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
pka 1.50±0.10(Predicted)
color  Crystals
Water Solubility  Insoluble in water.
Major Application pharmaceutical (small molecule)
InChI 1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
InChIKey QMQFFHSJUJDRPG-UHFFFAOYSA-N
SMILES Nc1c(I)cc(I)c(C(O)=O)c1I
LogP -1.43-3.31 at 25℃ and pH1-9
Dissociation constant 2.7-2.9
CAS DataBase Reference 3119-15-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  WGK 3
RTECS  DG3349000
REACH Registrations Active
HazardClass  IRRITANT
HS Code  2922493800
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Toxicity
LD50 unr-rat: 1450 mg/kg JAPMA8 42,721,53

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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