4849-90-5

Name ARISTOLOCHIC ACID C
CAS 4849-90-5
Molecular Formula C16H9NO7
MDL Number MFCD03093714
Molecular Weight 327.25
MOL File 4849-90-5.mol

Chemical Properties

Appearance Shiny brown leaflets or a yellow or white powder.
Melting point  287~292℃
Boiling point  658.7±55.0 °C(Predicted)
density  1.707±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka 3.01±0.20(Predicted)
color  Dark Orange
Water Solubility  sparingly soluble in water
Major Application food and beverages
InChI 1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
InChIKey NBFGYDJKTHENDP-UHFFFAOYSA-N
SMILES [N+](=O)([O-])c1c2c(c4c(c1)ccc(c4)O)c3c(cc2C(=O)O)OCO3

Safety Data

WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Carc. 2
Muta. 2

Hazard Information

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