4431-00-9

Name AURINTRICARBOXYLIC ACID
CAS 4431-00-9
EINECS(EC#) 224-628-1
Molecular Formula C22H14O9
MDL Number MFCD00011663
Molecular Weight 422.34
MOL File 4431-00-9.mol

Chemical Properties

Appearance deep red coarse crystalline powder
Melting point  300 °C(lit.)
Boiling point  458.99°C (rough estimate)
density  1.3860 (rough estimate)
refractive index  1.6230 (estimate)
storage temp.  +15C to +30C
solubility  1  M NH4OH: 10 mg/mL
form  powder
pka 2.20±0.20(Predicted)
color  dark red to brown
Water Solubility  Insoluble in water.
BRN  2228904
Major Application diagnostic assay manufacturing
hematology
histology
InChI 1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
InChIKey GIXWDMTZECRIJT-UHFFFAOYSA-N
SMILES OC(=O)c1cc(ccc1O)C(\c2ccc(O)c(c2)C(O)=O)=C3\C=CC(=O)C(=C3)C(O)=O
CAS DataBase Reference 4431-00-9(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy- (4431-00-9)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  GU4790000
TSCA  Yes
Storage Class 11 - Combustible Solids

Raw materials And Preparation Products

Hazard Information

Well-known Reagent Company Product Information

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