68367-52-2

Name Sorbinil
CAS 68367-52-2
Molecular Formula C11H9FN2O3
MDL Number MFCD00867380
Molecular Weight 236.2
MOL File 68367-52-2.mol

Chemical Properties

Melting point  241-243°
alpha  D25 +54.0° (c = 1 in methanol)
density  1.52
storage temp.  2-8°C
solubility  DMSO: ≥20mg/mL
form  powder
pka 8.91±0.20(Predicted)
color  white to off-white
Optical Rotation [α]/D +50 to +60°, c = 1 in methanol
InChI 1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
InChIKey LXANPKRCLVQAOG-NSHDSACASA-N
SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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