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Chrysophanic acid Structure

Chrysophanic acid

Chemical Properties

Melting point 194-198 °C
Boiling point 357.45°C (rough estimate)
Density  1.2693 (rough estimate)
refractive index  1.4872 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  chloroform: soluble1%
form  crystalline
pka 6.63±0.20(Predicted)
color  yellow-orange
Water Solubility  <0.1 g/100 mL at 18 ºC
λmax 429nm(MeOH)(lit.)
Merck  14,2258
BRN  1252300
Stability Stable. Incompatible with strong oxidizing agents.
InChI 1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKey LQGUBLBATBMXHT-UHFFFAOYSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
LogP 4.720 (est)
CAS DataBase Reference 481-74-3(CAS DataBase Reference)
EPA Substance Registry System Chrysophanic acid (481-74-3)

Safety Information

Hazard Codes  Xi
Risk Statements  36/38-36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  CB6725000
8-10
HS Code  29146990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 481-74-3(Hazardous Substances Data)

MSDS

Usage And Synthesis

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