Grundinformationen
- Standard-SMILES
CC(C)(C)NSc1nc2ccccc2s1- InChIKey
IUJLOAKJZQBENM-UHFFFAOYSA-N- Summenformel
- C11H14N2S2
- Durchschnittliche Molmasse
- 238,4 g/mol
- Monoisotopische Masse
- 238,05984045
Überblick
rubber accelerator
Namen und Bezeichner
- Bevorzugter Name
- N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
- IUPAC
- N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
- Lokaler Name
- N-tert-Butylbenzothiazol-2-sulfenamid
- Englischer Name
- N-tert-Butyl-2-benzothiazolesulfenamide
- Summenformel
- C11H14N2S2
- Molmasse
- 238.37
Namen und Synonyme
N-tert-Butyl-2-benzothiazolesulfenamide95-31-8Nocceler NSVulkacit NZPennac TbbsAccel BNS2-(TERT-BUTYLAMINOTHIO)BENZOTHIAZOLEVanax NS2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-2-Benzothiazolesulfenamide, N-tert-butyl-Benzothiazolyl-2-tert-butylsulfenamideN-tert-Butyl-2-benzothiazylsulfenamide
Weitere Namen anzeigen
TBBSBBTSNTBBTSaccelbnsDelac NSSoxinolNSpennactbbs
Santocure NS vulcanization acceleratorDTXSID7026572N-tert-Butyl-2-benzothiazolyl sulfenamideW468IFJ99CNSC-84176DTXCID506572RefChem:823300N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
Datenbank-Bezeichner
- CAS
95-31-8- PubChem CID
- 7230
- DTXSID
DTXSID7026572- ChEMBL
CHEMBL3182037- UNII
- W468IFJ99C
- EC Number
- 202-409-1
- Nikkaji
- J21.264D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 78,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 215
Experimentelle und physikochemische Eigenschaften
PolymersPlastics & Rubber -> Rubber Additives
Density1.29 @ 25 °C
Color/FormLIGHT BUFF POWDER OR FLAKES; SOMETIMES COLORED BLUE
SolubilitySOL IN MOST ORG SOLVENTS
Melting Point104 °C (MIN)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Dry Powder; Large Crystals; Large Crystals; Dry Powder; Other Solid
Light beige solid; Sometimes blue; [HSDB] Light buff to tan powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 °C · 105°C
- Siedepunkt
- 344.1 · 344.1±25.0 °C(Predicted)
- Dichte
- 1 · 1,29 g/cm3
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 165 °C · 165°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.25 · 1.25±0.70(Predicted)
- Wasserlöslichkeit
- 1.74 mg/L · 1.74mg/L at 20℃
- BRN
- 158370 · 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
- 3.36 at · 3.36 at 25℃
- CAS Datenbank
- 95 · 95-31-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Benzothiazolesulfenamide, n-(1,1-dimethylethyl)-(95-31-8)
- EPA chemische Informationen
- -2 · N-tert-Butyl-2-benzothiazolesulfenamide (95-31-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (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.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Gefahrenhinweise
Regulatory Information
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
Other Safety InformationIMAP assessments - 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-: Human health tier I assessment
Hazards Summary
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 gavage; Mild irritation to skin and eyes was observed in rabbit studies; A product of hydrolysis, mercaptobenzothiazole, is a potent skin sensitizer; [eChemPortal: SIDSUNEP] A mild irritant; May cause skin sensitization; [MSDSonline] See Mercaptobenzothiazole.
Hazard Classes and Categories
Skin Sens. 1A (99.6%)
Skin sensitization - Category 1
Skin sensitization - Category 1
Sicherheit und Schutzausrüstung
Disposal Methods
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.
Toxikologische Informationen
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 29342000
- RTECS-Nr.
- DL6200000
- risk_code
- 43-53
- safety_code
- 36-45-61-37-24
- hazard_class
- 9
- packing_group
- III
- Giftige Stoffe Daten
- 95-31-8(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as an accelerator for natural and synthetic isoprene rubbers and butadiene rubbers; [HSDB]
RUBBER ACCELERATOR
ACCELERATOR FOR NATURAL & SYNTHETIC ISOPRENE RUBBERS
ACCELERATOR FOR BUTADIENE RUBBERS, EG, STYRENE-BUTADIENE
U.S. Imports(1979) 5.40X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
2023: 7,000,000 - <8,500,000 lb
(1979) PROBABLY GREATER THAN 1.36X10+6 GRAMS
(1981) PROBABLY GREATER THAN 9.08X10+5 GRAMS
>45,000 kg in 1977
Consumer UsesPolymerization promoter
Industry UsesOther
Methods of ManufacturingOXIDATIVE COUPLING OF 2-MERCAPTOBENZOTHIAZOLE & T-BUTYLAMINE USING EITHER SODIUM HYPOCHLORITE OR CHLORINE GAS & AIR
General Manufacturing Information
Rubber Product Manufacturing
2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-: ACTIVE
Anwendungen
BeschreibungN-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.
VerwendenN-tert-Butyl-2-benzothiazolesulfenamide is used as an accelerator for natural and synthetic isoprene and butadiene rubbers.
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