415697-08-4

Name 2-[[4-[(4-NITROPHENYL)METHOXY]PHENYL]METHYL]-4-THIAZOLIDINECARBOXYLIC ACID ETHYL ESTER
CAS 415697-08-4
Molecular Formula C20H22N2O5S
MDL Number MFCD06798326
Molecular Weight 402.46
MOL File 415697-08-4.mol
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Chemical Properties

Boiling point  581.2±50.0 °C(Predicted)
density  1.285±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,2-8°C
solubility  DMSO : 62.5 mg/mL (155.29 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
form  Powder
pka 6.63±0.60(Predicted)
color  White to light yellow
InChI 1S/C20H22N2O5S/c1-2-26-20(23)18-13-28-19(21-18)11-14-5-9-17(10-6-14)27-12-15-3-7-16(8-4-15)22(24)25/h3-10,18-19,21H,2,11-13H2,1H3
InChIKey ZVYIJXLMBWCGHP-UHFFFAOYSA-N
SMILES O=C(OCC)C1CSC(CC2=CC=C(OCC3=CC=C([N+]([O-])=O)C=C3)C=C2)N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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