Tetramethylenedisulfotetramine

HCID 64148CAS 80-12-6

Grundinformationen

Standard-SMILES
O=S1(=O)N2CN3CN1CN(C2)S3(=O)=O
InChIKey
AGGKEGLBGGJEBZ-UHFFFAOYSA-N
Summenformel
C4H8N4O4S2
Durchschnittliche Molmasse
240,3 g/mol
Monoisotopische Masse
239,9986971

Namen und Bezeichner

Bevorzugter Name
Tetramethylenedisulfotetramine
IUPAC
2lambda6,6lambda6-dithia-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide
Englischer Name
2,6-Dithia-1,3,5,7-tetraazatricyclo3.3.1.13,7decane, 2,2,6,6-tetraoxide
Summenformel
C4H8N4O4S2
Molmasse
240.26

Namen und Synonyme

TetramethylenedisulfotetramineTetramineTETS80-12-6TetramethylenedisulphotetramineDSTAF6TS3WME05DTXSID8040307NSC-1728242,6-Dithia-1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane, 2,2,6,6-tetraoxide2,6-Dithia-1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane, 2,2,6,6-tetraoxideRefChem:188783
Weitere Namen anzeigen
Tretamine in methanolTetramethylenedisulfotetramine solution2,6-Dithia-1,3,5,7-tetraazatricyclo3.3.1.13,7decane, 2,2,6,6-tetraoxide
DTXCID6020307CHEBI:391662,6-dithia-1,3,5,7-tetraazatricyclo(3.3.1.1(3,7)-decane 2,2,6,6-tetraoxide)disulfotetraazaadamantaneTetramine (adamantane derivative)199488-98-72lambda6,6lambda6-dithia-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxideUNII-F6TS3WME05

Datenbank-Bezeichner

CAS
80-12-6
PubChem CID
64148
DTXSID
DTXSID8040307
UNII
F6TS3WME05
EC Number
804-552-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,7
Polarare Oberfläche (TPSA)
98 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
0
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
242.5 °C · 242.5°C (rough estimate)
Siedepunkt
498.1 · 498.1±45.0 °C(Predicted)
Dichte
1.574 · 1.574 (estimate)
Brechungsindex
1.6 · 1.6000 (estimate)
Flammpunkt
2 °C · 2°C
storage temp.
-20 °C · -20°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

2,6-Dithia-1,3,5,7-tetraazatricyclo3.3.1.13,7decane, 2,2,6,6-tetraoxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 1 (100%)

Sicherheit und Schutzausrüstung

Acute Exposure Guideline Levels (AEGLs)The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values.
AEGLs NotesAEGLs Status: Holding

Toxikologische Informationen

Acute Toxicity LinkChemical: TETRAMINE

Regulatorische Informationen

Regulatory Information · 1 Eintrag

2,6-Dithia-1,3,5,7-tetraazatricyclo3.3.1.13,7decane, 2,2,6,6-tetraoxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

wgk
2
ridadr
UN 1648 3 / PGII
risk_code
11-20/21/22-36
Toxizität
LD in mice (mg/kg): 0.20 orally or s.c. (Hagen)
hazard_code
F,Xn
safety_code
16-36/37

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationRODENTICIDES
Anwendungen · 2 Einträge

BeschreibungTetramethylenedisulfotetramine (2,6-dithia-1,3,5,7-tetraazadamantane, 2,2,6,6-tetraoxide, TETS) is a highly toxic heteroadamantane rodenticide. It is an odorless, tasteless, white crystalline powder that is slightly soluble in water (0.25 mg ml-1), dimethyl sulfoxide and acetone. It was originally synthesized in 1933 as a resinous condensation product of sulfamide and formaldehyde and used commercially in pillows and upholstery as an impregnating stiffening and antimold agent. However, in 1950, a massive poisoning of German workers in the furniture manufacturing industry was linked to ‘Crinex’ wool, which contained TETS as a byproduct of processing. Early experimental studies in rodents revealed that TETS was an extremely toxic convulsant agent. It was also discovered at this time that TETS is a highly effective rodent repellent, which resulted in its use during reforestation projects to prevent seed predation by rodents. However, because of its high toxicity in mammals, including humans, and its persistence in the environment, many countries banned its production and use in 1984. This ban became worldwide when China issued similar restrictions in 1991. However, due to its relative ease of synthesis and low cost, TETS remains available on the black market, particularly in many rural areas of China and in regions outside of China that have large Asian populations.

VerwendenDespite the worldwide ban on its production and use, TETS continues to be used illicitly as a rodenticide in various regions of the world. In China, TETS is known as ‘Dushuqiang’, ‘Meishuming,’ or ‘Shanbudao.’ In 2000, the National Poison Control Center of China revealed that 74% of commercial rodenticides contained illegal chemicals, with TETS found in nearly 50% of these pesticides. From 1977 to 2002, it was estimated that there were thousands of cases of TETS poisoning in China, resulting in hundreds of deaths. A more recent analysis indicates that between 1991 and 2010, there were over 14 000 cases of TETS intoxication in China, of which 932 resulted in death. In 2003, the first case of TETS intoxication in the United States was reported: a healthy 15-month-old girl was poisoned following accidental ingestion of a rodenticide imported from China that contained TETS. While many cases are thought to be due to accidental poisonings, there have been numerous reports of TETS being used to intentionally poison humans.

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