171746-21-7

Name 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid
CAS 171746-21-7
Molecular Formula C28H24O2
MDL Number MFCD00943817
Molecular Weight 392.49
MOL File 171746-21-7.mol
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Chemical Properties

Melting point  246-255?C
Boiling point  564.5±50.0 °C(Predicted)
density  1.21±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  Chloroform (Slightly, Heated), DMSO (Slightly, Sonicated)
form  Solid
pka 4.08±0.10(Predicted)
color  Off-White to Pale Yellow
Stability: Hygroscopic
InChI 1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
InChIKey NCEQLLNVRRTCKJ-UHFFFAOYSA-N
SMILES O=C(O)C1=CC=C(C#CC2=CC=C3C(C)(C)CC=C(C4=CC=C(C)C=C4)C3=C2)C=C1

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

Spectrum Detail

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