6326-06-3

Name AH 7614
CAS 6326-06-3
Molecular Formula C20H17NO3S
MDL Number MFCD00379273
Molecular Weight 351.42
MOL File 6326-06-3.mol
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Chemical Properties

Melting point  196-197 °C(Solv: ethanol (64-17-5); 1,4-dioxane (123-91-1))
Boiling point  505.9±60.0 °C(Predicted)
density  1.37±0.1 g/cm3(Predicted)
storage temp.  -20°C (des.)
solubility  Soluble in DMSO (up to 50 mg/ml) or in Ethanol (up to 8 mg/ml with warming).
form  solid
pka 10.33±0.20(Predicted)
color  Off-white
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month.
InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
InChIKey OZCQEUZTOAAWDK-UHFFFAOYSA-N
SMILES C1(S(NC2C3=C(C=CC=C3)OC3=C2C=CC=C3)(=O)=O)=CC=C(C)C=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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