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N-tert-Butylbenzothiazol-2-sulfenamid
TBBS · BBTS · 2-(tert-Butylaminothio)benzothiazole · NTBBTS · accelbns · Delac NS · VANAX NS · Accel bns
Identifikatoren & physikalische Daten
| CAS No. | 95-31-8 |
|---|---|
| Summenformel | C11H14N2S2 |
| Durchschnittliche Molmasse | 238,4 g/mol |
| Monoisotopische Masse | 238,05984045 g/mol |
| SMILES | CC(C)(C)NSc1nc2ccccc2s1 |
| InChIKey | IUJLOAKJZQBENM-UHFFFAOYSA-N |
| PubChem CID | 7230 |
| ChEMBL | CHEMBL3182037 |
| EC No. | 202-409-1 |
| DTXSID | DTXSID7026572 |
| Lokaler Name | N-tert-Butylbenzothiazol-2-sulfenamid |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 215 |
| Polymers | Plastics & Rubber -> Rubber Additives |
| Dichte | 1.29 @ 25 °C1,29 g/cm3 |
| Color/Form | LIGHT BUFF POWDER OR FLAKESSOMETIMES COLORED BLUE |
| Löslichkeit | SOL IN MOST ORG SOLVENTS1.74mg/L at 20℃ |
| Schmelzpunkt | 104 °C (MIN)105°C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderLarge CrystalsOther SolidLight beige solidSometimes blue[HSDB] Light buff to tan powder[MSDSonline] |
| Siedepunkt | 344.1±25.0 °C(Predicted) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | 165°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.25±0.70(Predicted) |
| BRN | 158370 |
| InChI | InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3 |
| InChIKey | IUJLOAKJZQBENM-UHFFFAOYSA-N |
| SMILES | S1C2=CC=CC=C2N=C1SNC(C)(C)C |
| LogP (Verteilungskoeffizient) | 3.36 at 25℃ |
| CAS Datenbank | 95-31-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Benzothiazolesulfenamide, n-(1,1-dimethylethyl)-(95-31-8) |
| EPA chemische Informationen | N-tert-Butyl-2-benzothiazolesulfenamide (95-31-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 244 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| Regulatorische Informationen | Chemical: 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)- 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: N-tert-butylbenzothiazole-2-sulphenamide (EC: 202-409-1)N-tert-butyl-2-benzothiazolesulfenamide: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-: Human health tier I assessment |
| Gefahrenübersicht | High dose oral studies with rats showed effects on the liver, kidneys, and erythrocytes (hemolysis)The LOAEL for anemia was 40 mg/kg/day by gavageMild irritation to skin and eyes was observed in rabbit studiesA product of hydrolysis, mercaptobenzothiazole, is a potent skin sensitizer[eChemPortal: SIDSUNEP] A mild irritantMay cause skin sensitization[MSDSonline] See Mercaptobenzothiazole. |
| Hazard Classes and Categories | Skin Sens. 1A (99.6%)Skin sensitization - Category 1 |
| 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 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| Zollcode | 29342000 |
| RTECS-Nr. | DL6200000 |
| R-Sätze (R) | 43-53 |
| Sicherheitshinweise (S) | 36-45-61-37-24 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
| Gefahrstoffdaten | 95-31-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
N-tert-Butyl-2-benzothiazolesulfenamide (TBBS) is one of the essential kinds of sulfenamide vulcanization accelerator, have anti-incipient scorch and the large advantage of vulcanization rate fast two concurrently for natural rubber, styrene-butadiene rubber(SBR), cis-1,4-polybutadiene rubber, in polyisoprene rubber, be particularly useful for the furnace treated black sizing material that alkalescence is higher, variable color and pollution are slight, the alternative NOBS(N-morpholinyl benzothiaolesulfenamide having carinogenicity possible containing secondary amine), the NOBS of tire industry is replaced with CBS (CZ) or TBBS in l994 law-making stipulation by Germany.
Verwenden
N-tert-Butyl-2-benzothiazolesulfenamide is used as an accelerator for natural and synthetic isoprene and butadiene rubbers.