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Key Documents

300802

Sigma-Aldrich

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
Beilstein:
1616445
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

solid

mp

78-81 °C (lit.)

SMILES string

C1CSCCSCCS1

InChI

1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2

InChI key

PQNPKQVPJAHPSB-UHFFFAOYSA-N

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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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
C-H Bond Activation by a Palladium (II) Thioether Complex: Formation of the Bis (nitromethanate) Complex [Pd (9S3)(CH2NO2) 2]
Lee JP, et al.
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Dinuclear manganese complexes containing chiral 1, 4, 7-triazacyclononane-derived ligands and their catalytic potential for the oxidation of olefins, alkanes, and alcohols
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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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