1099644-42-4

Name ITD-1
CAS 1099644-42-4
Molecular Formula C27H29NO3
MDL Number MFCD28133391
Molecular Weight 415.52
MOL File 1099644-42-4.mol

Chemical Properties

Boiling point  569.9±50.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  ≥28.05 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
form  solid
pka 1.33±0.70(Predicted)
color  Light yellow to yellow
InChI 1S/C27H29NO3/c1-5-31-26(30)23-17(2)28-21-15-27(3,4)16-22(29)25(21)24(23)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h6-14,24,28H,5,15-16H2,1-4H3
InChIKey ULFUJLFTRWWLPO-UHFFFAOYSA-N
SMILES O=C(CC(C)(C)C1)C2=C1NC(C)=C(C(OCC)=O)C2C(C=C3)=CC=C3C4=CC=CC=C4

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
Signal word  Danger
Hazard statements  H300+H310+H330-H410
Precautionary statements  P501-P273-P260-P270-P262-P271-P264-P280-P284-P391-P361+P364-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier

Related Products