54197-31-8

Name R(+)-IAA-94
CAS 54197-31-8
Molecular Formula C17H18Cl2O4
MDL Number MFCD00069295
Molecular Weight 357.23
MOL File 54197-31-8.mol
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Chemical Properties

Boiling point  537.2±50.0 °C(Predicted)
density  1.401±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  H2O: 0.2 mg/mL
form  solid
pka 2.80±0.10(Predicted)
color  white
Optical Rotation [α]22/D +36.4°, c = 0.86 in methanol(lit.)
Water Solubility  H2O: 0.2mg/mL
0.1 M NaOH: 2.8mg/mL
DMSO: >20mg/mL
ethanol: 20mg/mL
dilute aqueous acid: insoluble
InChI InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m1/s1
InChIKey RNOJGTHBMJBOSP-QGZVFWFLSA-N
SMILES C(O)(=O)COC1C(Cl)=C(Cl)C2=C(C=1)C[C@@](C1CCCC1)(C)C2=O

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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