113411-17-9

Name DIF-3
CAS 113411-17-9
Molecular Formula C13H17ClO4
MDL Number MFCD05865230
Molecular Weight 272.72
MOL File 113411-17-9.mol

Chemical Properties

Boiling point  416.9±45.0 °C(Predicted)
density  1.240±0.06 g/cm3(Predicted)
solubility  DMSO: 46 mg/mL, soluble
form  solid
pka 5.92±0.45(Predicted)
color  White to off-white
InChI 1S/C13H17ClO4/c1-3-4-5-6-8(15)11-9(16)7-10(18-2)12(14)13(11)17/h7,16-17H,3-6H2,1-2H3
InChIKey JWBMZIJMSBFBIY-UHFFFAOYSA-N
SMILES CCCCCC(=O)c1c(O)cc(OC)c(Cl)c1O

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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