300802
1,4,7-Trithiacyclononane
97%
Synonym(s):
Triethylene trisulfide
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About This Item
Empirical Formula (Hill Notation):
C6H12S3
CAS Number:
Molecular Weight:
180.35
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1616445
Assay:
97%
Form:
solid
InChI
1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2
SMILES string
C1CSCCSCCS1
InChI key
PQNPKQVPJAHPSB-UHFFFAOYSA-N
assay
97%
form
solid
mp
78-81 °C (lit.)
functional group
thioether
Quality Level
Application
1,4,7-Trithiacyclononane (9S3) is a tridentate thioether ligand that can be used to prepare complexes with a wide variety of transition metal ions. These complexes often possess exceptional electronic and redox properties. 9S3 ligand reacts with palladium metal ion to form palladium(II) thioether complex, which is used as a catalyst in the C-H activation reactions. Manganese complex of 9S3 ligand is employed as a catalyst for the oxidation of olefins, alkanes, and alcohols.
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Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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C-H Bond Activation by a Palladium (II) Thioether Complex: Formation of the Bis (nitromethanate) Complex [Pd (9S3)(CH2NO2) 2]
Lee JP, et al.
Organometallics, 31(18), 6505-6513 (2012)
Dinuclear manganese complexes containing chiral 1, 4, 7-triazacyclononane-derived ligands and their catalytic potential for the oxidation of olefins, alkanes, and alcohols
Romakh VB, et al.
Inorganic Chemistry, 46(4), 1315-1331 (2007)
The novel mixed-valence, exchange-coupled, class III dimer [L 2 Fe 2 (?-OH) 3] 2+(L= N, N?, N ?-trimethyl-1, 4, 7-triazacyclononane)
Drueke S, et al.
Journal of the Chemical Society. Chemical Communications, 22(1), 59-62 (1989)
1, 4, 7-Trithiacyclononane, a novel tridentate thioether ligand, and the structure of its nickel (II), cobalt (II), and copper (II) complexes
Setzer WN, et al.
Inorganic Chemistry, 22(2), 266-271 (1983)
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