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2-(Morpholinothio)benzothiazol
MBS · OBS · NOBS · OMTS · OBTS · MORPHOLINOTHIOBENZOTHIAZOLE · Santocure MOR · 2-(4-Morpholinothio)benzothiazole
Identifikatoren & physikalische Daten
| CAS No. | 102-77-2 |
|---|---|
| Summenformel | C11H12N2OS2 |
| Durchschnittliche Molmasse | 252,4 g/mol |
| Monoisotopische Masse | 252,039105 g/mol |
| SMILES | c1ccc2sc(SN3CCOCC3)nc2c1 |
| InChIKey | MHKLKWCYGIBEQF-UHFFFAOYSA-N |
| PubChem CID | 7619 |
| ChEMBL | CHEMBL1530581 |
| EC No. | 203-052-4 |
| DTXSID | DTXSID0021096 |
| Lokaler Name | 2-(Morpholinothio)benzothiazol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 236 |
| Polymers | Plastics & Rubber -> Rubber Additives |
| SpringerMaterials Properties | Fusion temperature |
| Geruch | SWEET ODOR |
| Dichte | 1.34 @ 25 °C1.34-1.40 |
| Color/Form | BUFF TO BROWN FLAKESTAN-COLORED POWDER |
| Löslichkeit | INSOL IN WATER, SOL IN BENZENE, ACETONE, METHANOLAcetone (Slightly, Heated, Sonicated), Chloroform (Slightly) |
| Flammpunkt | 188 °C |
| Decomposition | WHEN HEATED TO DECOMPOSITION, IT EMITS HIGHLY TOXIC FUMES OF SO(X) & NO(X). |
| Schmelzpunkt | 80 °C78-80°C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Large CrystalsOther SolidDry PowderTan to brown solid with a sweet odor[HSDB] Pale granules or flakes[MSDSonline] |
| Siedepunkt | 413.1±55.0 °C(Predicted) |
| Dampfdruck | 0.001Pa at 25℃ |
| Brechungsindex | 1.5650 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 1.05±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Yellow |
| Geruch | buff to brn. flakes, sweet odor |
| Biologische Quelle | rabbit |
| LogP (Verteilungskoeffizient) | 3.4 at 25℃ and pH7 |
| CAS Datenbank | 102-77-2(CAS DataBase Reference) |
| NIST chemische Informationen | Morpholine, 4-(2-benzothiazolylthio)-(102-77-2) |
| EPA chemische Informationen | Benzothiazole, 2-(4-morpholinylthio)- (102-77-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: Morpholine, 4-(2-benzothiazolylthio)-Benzothiazole, 2-(4-morpholinylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzothiazole, 2-(4-morpholinylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 2-(morpholinothio)benzothiazole (EC: 203-052-4)2-Benzothiazolylsulfenyl morpholine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause skin sensitization[CHEMINFO] Danger of skin sensitization[MAK] A skin and eye irritant[eChemPortal: ESIS] A mild skin and eye irritant[MSDSonline] It causes delayed-type skin sensitizationA case of immediate-type hypersensitivity was reported in a dental assistant[Kanerva, p. 1818] See Mercaptobenzothiazole. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye irritation - category 2Serious eye damage/eye irritation - Category 2 |
| Lagerbedingungen | MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED... |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| TSCA Test Submissions | The ability of N-oxydiethylene-2-benzothiazyl sulfenamide (OBTS) to induce morphological transformation was evaluated in the Balb/3T3 mouse cell line (Cell Transformation Assay). Based on preliminary toxicity determinations (exposure time = 72hrs), OBTS was tested at concentrations of 0.05, 0.20, 2.0, 15.0 or 35.0ug/ml resulting in a range of approximately 80% to 48% survival (estimated graphically). OBTS produced significantly greater transformation frequencies (p < 0.01) over the applied concentration range of 0.2ug/ml to 35.0ug/ml relative to the solvent control (DMSO).The ability of 2-(morpholinothio)benzothiazolesulfenamide (OBTS) to induce morphological transformation was evaluated in the Balb/3T3 mouse cell line (Cell Transformation Assay). Three samples of the test material were employed. Based on preliminary toxicity determinations (exposure time = 72hrs), all three assays of OBTS were conducted at concentrations ranging from 0.75 to 30ug/ml, resulting in approximately 95% to 20% survival. None of the treatments produced significantly greater transformation frequencies relative to the solvent control (DMSO).2-(Morpholinothio)benzothiazole sulfenamide (OBTSpurified 4X by crystallization) was examined for mutagenic activity in Salmonella typhimurium strains TA1535, TA1537, TA1538, TA98, TA100, with and without metabolic activation provided by Aroclor-induced rat liver S9 fraction. The test article was not mutagenic to Salmonella tester strains in the plate preincubation assay at concentrations ranging from 0 to 2500 ug/plate under activated or non-activated conditions. Cytotoxicity to Salmonella strains was reported at the high doses in activated and non-activated assays.The frequency of forward mutations was determined at the TK locus of the mouse lymphoma L5178Y cell line exposed in vitro to N-oxydiethylene-2-benzothiazyl sulfenamide (OBTS). The test article was administered at concentrations ranging from 0.195 to 50 ug/ml in the presence and absence of metabolic activation provided by Aroclor-induced rat liver S9 fraction. In the absence of activation a mutagenic effect was observed at concentrations greater than 10 ug/ml, levels at which OBTS was observed to be highly cytotoxic. In the presence of activation mutagenicity was observed at moderate to highly toxic treatment levels in the 3.13 to 40.0 ug/ml range.For more TSCA Test Submissions (Complete) data for 2-(4-MORPHOLINOTHIOBENZOTHIAZOLE (12 total), please visit the HSDB record page. |
| Non-Human Toxicity Excerpts | The skin sensitization potentials of morpholine, 2-mercaptobenzothiazole (MBT) and their derivatives, 4,4'-dithiomorpholine (DTDM) and morpholinyl-mercaptobenzothiazole (MMBT) were examined using male Hartley albino guinea pigs. Preparations of 0.5, 2, 5 and 10% were used to determine the threshold irritation concn of each compound on the skin with 0.1 g of each applied on gauze pads of 1.5 sq cm dimensions. Materials were removed after 24 hr and readings taken at 1, 24, 48 hr after removal. For sensitization studies the animals were exposed to about 0.1 g of each cmpd in a concn of 5% of the amount needed to produce minimal intensity erythema from the irritant test. Test materials were removed after 24 hr. The procedure was repeated 3 times/wk for 2 wk. Two wk after the final induction, the challenge test was preformed. The left flank of the test animals was shaved, and 0.1, 0.5 and 2% dose preparations of each induction cmpd were applied. Materials were removed after 24 hr and readings taken at 1, 24 and 48 hr and 7 days after removal. Cross sensitization studies were also performed. The sensitization potential was greatest for DTDM, with MMBT being the next strongest. MBT was also a sensitizer, but morpholine not. The intensity and percent of reactions to challenge depended on the concn of the test cmpd. A variety of cross sensitization reactions occurred suggesting that the morpholine ring alone was not able to induce sensitizationon association with a disulfide bond, it became a strong sensitizing agent. The sensitization potential of MBT appeared directly related to the sulfhydryl functional group in the benzothiazole. |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| Zollcode | 29342000 |
| RTECS-Nr. | DL5950000 |
| R-Sätze (R) | 22-51/53-43-36/38 |
| Toxizität | LD50 orl-rat: 1980 mg/kg IPSTB3 3,93,76 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 20/21-36-61-37-26-24-24/25 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 102-77-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
This rubber vulcanization accelerator is used as a chemical in the rubber industry, especially in the production of synthetic rubber articles. Is contained in the "mercapto mix". As a corrosion inhibitor, it can be found in cutting fluids or in releasing fluids in the pottery industry. It induces mainly delayed-type hypersensitivity, but a case of immediate-type hypersensitivity was reported in a dental assistant.
Verwenden
Delayed-action vulcanization accelerator.