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300802

1,4,7-Trithiacyclononane

97%

Synonym(s):

Triethylene trisulfide

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About This Item

Empirical Formula (Hill Notation):
C6H12S3
CAS Number:
6573-11-1
Molecular Weight:
180.35
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24857942
MDL number:
MFCD00010859
Beilstein/REAXYS Number:
1616445
Assay:
97%
Form:
solid
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Quality Level

100

assay

97%

form

solid

mp

78-81 °C (lit.)

functional group

thioether

SMILES string

C1CSCCSCCS1

InChI

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

InChI key

PQNPKQVPJAHPSB-UHFFFAOYSA-N

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
GHS07

signalword

Warning

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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Certificates of Analysis (COA)

Lot/Batch Number
0000236298
0000196055
0000196055
0000236298
MKCK3112

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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
Romakh VB, et al.
Inorganic Chemistry, 46(4), 1315-1331 (2007)
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)
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)
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Global Trade Item Number

SKUGTIN
300802-500MG04061833472880