Purpurin Structure

Purpurin

Chemical Properties

Melting point 253-256 °C(lit.)
Boiling point 359.45°C (rough estimate)
Density  1.659
refractive index  1.4825 (estimate)
Flash point 113 °C
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly, Heated)
pka 7.05±0.20(Predicted)
Colour Index  58205
form  Powder
color  Brown-red to brown
Water Solubility  6.405mg/L(25 ºC)
λmax 515 nm
521 nm (2nd)
Merck  14,7945
BRN  1887127
Major Application diagnostic assay manufacturing
hematology
histology
InChI 1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
LogP 4.600 (est)
CAS DataBase Reference 81-54-9
EWG's Food Scores 1
FDA UNII L1GT81LS6N
EPA Substance Registry System Purpurin (81-54-9)
UNSPSC Code 41116107
NACRES NA.47

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,C,F
Risk Statements  36/37/38-34-11
Safety Statements  26-36-45-36/37/39-16
WGK Germany  3
RTECS  CB8200000
HS Code  29146990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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