13739-02-1

Name 1,8-Diacetoxy-3-carboxyanthraquinone
CAS 13739-02-1
EINECS(EC#) 237-310-2
Molecular Formula C19H12O8
MDL Number MFCD00468030
Molecular Weight 368.29
MOL File 13739-02-1.mol

Chemical Properties

Appearance Yellow Crystalline Solid
Melting point  217-2180C
Boiling point  631.5±55.0 °C(Predicted)
density  1.491±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Sparingly), Methanol (Slightly)
form  neat
pka 3.01±0.20(Predicted)
color  Light Yellow to Yellow
Water Solubility  240μg/L at 25℃
Usage A diacetyl derivative of Rhein. Demonstrates anti-arthritic activity without inhibiting prostaglandin synthesis. Antiarthritic
Merck  14,2960
InChI InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
InChIKey TYNLGDBUJLVSMA-UHFFFAOYSA-N
SMILES C1=C2C(C(=O)C3=C(C2=O)C=CC=C3OC(C)=O)=C(OC(C)=O)C=C1C(O)=O
LogP 3.126 (est)
CAS DataBase Reference 13739-02-1(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P305+P351+P338
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  CB8781000
REACH Registrations Active
HS Code  29146990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity
rat,LD50,unreported,7500mg/kg (7500mg/kg),Drugs of the Future. Vol. 4, Pg. 445, 1979.

Hazard Information

Material Safety Data Sheet(MSDS)

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