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2591-17-5

Name D-LUCIFERIN
CAS 2591-17-5
EINECS(EC#) 219-981-3
Molecular Formula C11H8N2O3S2
MDL Number MFCD00042929
Molecular Weight 280.32
MOL File 2591-17-5.mol
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Chemical Properties

Appearance off-white to light yellow powder
Melting point  200-204 °C
alpha  D22 -36° (c = 1.2 in DMF)
Boiling point  587.6±60.0 °C(Predicted)
density  1.4916 (rough estimate)
refractive index  1.5650 (estimate)
storage temp.  −20°C
solubility  DMF:30.0(Max Conc. mg/mL);107.02(Max Conc. mM)
DMSO:35.33(Max Conc. mg/mL);126.05(Max Conc. mM)
form  Powder
pka 8.31±0.40(Predicted)
color  Off-white to light yellow
λmax 360nm(H2O)(lit.)
Merck  14,4086
BRN  30484
InChI InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1
InChIKey BJGNCJDXODQBOB-SSDOTTSWSA-N
SMILES S1C[C@H](C(O)=O)N=C1C1=NC2=CC=C(O)C=C2S1

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
F  8-10
HS Code  29342000

Hazard Information

Spectrum Detail

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