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Psoralen Structure

Psoralen

Chemical Properties

Melting point 160-162 °C
Boiling point 280.64°C (rough estimate)
Density  1.2477 (rough estimate)
refractive index  1.6310 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
Water Solubility  65.16mg/L(25 ºC)
λmax 328nm(EtOH)(lit.)
Merck  14,7928
BRN  152784
InChI 1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey ZCCUUQDIBDJBTK-UHFFFAOYSA-N
SMILES O=C1Oc2cc3occc3cc2C=C1
LogP 1.670
CAS DataBase Reference 66-97-7(CAS DataBase Reference)
NIST Chemistry Reference 7H-furo[3,2-g][1]benzopyran-7-one(66-97-7)

Safety Information

Hazard Codes  Xn
Risk Statements  22-36/37/38
Safety Statements  26
WGK Germany  3
RTECS  LV0944000
8-10
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Skin Sens. 1
Hazardous Substances Data 66-97-7(Hazardous Substances Data)

MSDS

Usage And Synthesis

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