100077-38-1

Name 2,3,6,7,10,11-triphenylene-hexathiol, triphenylene-2,3,6,7,10,11-hexathiol, 2,3,6,7,10,11-triphenylenehexathiol, triphenylene hexathiol, THT
CAS 100077-38-1
Molecular Formula C18H12S6
MDL Number MFCD34474279
Molecular Weight 420.68
MOL File 100077-38-1.mol
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Chemical Properties

Boiling point  726.4±55.0 °C(Predicted)
density  1.572±0.06 g/cm3(Predicted)
storage temp.  2-8°C, stored under nitrogen
pka 4.43±0.30(Predicted)
Appearance White to off-white Solid
InChI InChI=1S/C18H12S6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H
InChIKey HBSGIZZPDDQYBQ-UHFFFAOYSA-N
SMILES C1=C2C(C3C(C4C2=CC(S)=C(S)C=4)=CC(S)=C(S)C=3)=CC(S)=C1S

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

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