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100077-38-1

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100077-38-1 Structure

100077-38-1 Structure
IdentificationBack Directory
[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
[Synonyms]

2,3,6,7,10,11-triphen
Triphenylene-2,3,6,7,10,11-hexathiol
2,3,6,7,10,11-triphenylene-hexathiol
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
[Molecular Formula]

C18H12S6
[MDL Number]

MFCD34474279
[MOL File]

100077-38-1.mol
[Molecular Weight]

420.68
Chemical PropertiesBack Directory
[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 DataBack Directory
[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
Hazard InformationBack Directory
[Uses]

Used as a ligand in the synthesis of MOF materials: M3(THT)​2M=Ni,Fe.
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