Grundinformationen
- Standard-SMILES
c1ccc2sc(SSN3CCOCC3)nc2c1- InChIKey
QRYFCNPYGUORTK-UHFFFAOYSA-N- Summenformel
- C11H12N2OS3
- Durchschnittliche Molmasse
- 284,4 g/mol
- Monoisotopische Masse
- 284,011176
Namen und Bezeichner
- Bevorzugter Name
- 2-(4-Morpholinyldithio)benzothiazole
- IUPAC
- 4-(1,3-benzothiazol-2-yldisulfanyl)morpholine
- Lokaler Name
- 2-(Morpholinodithio)benzothiazol
- Englischer Name
- 4-(2-BENZOTHIAZOLYLDITHIO)MORPHOLINE
- Summenformel
- C11H12N2OS3
- Molmasse
- 284.42
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
95-32-9- PubChem CID
- 7231
- DTXSID
DTXSID2026573- ChEMBL
CHEMBL3186081- UNII
- 8IC2AN7P63
- EC Number
- 202-410-7
- Nikkaji
- J21.247D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 251
Experimentelle und physikochemische Eigenschaften
Physical Description
Dry Powder; Large Crystals
Cream to light yellow powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 °C · 130 °C
- Siedepunkt
- 455 · 455.0±55.0 °C(Predicted)
- Dichte
- 1.3762 · 1.3762 (rough estimate)
- Brechungsindex
- 1.565 · 1.5650 (estimate)
- pka
- -0.46 · -0.46±0.10(Predicted)
- Aggregatzustand
- Solid
- CAS Datenbank
- 95 · 95-32-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Benzothiazole, 2-(4-morpholinyldithio)- (95-32-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.3% (1 of 23) of reports.
Warning
H317 (91.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Gefahrenhinweise
Regulatory Information
Chemical: Benzothiazole, 2-(4-morpholinyldithio)-
Benzothiazole, 2-(4-morpholinyldithio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzothiazole, 2-(4-morpholinyldithio)- 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)
Benzothiazole, 2-(4-morpholinyldithio)-: 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 Categories
Skin Sens. 1 (91.3%)
Hazardous to the aquatic environment (Acute) - 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
Human Toxicity Excerpts
ENVIRON SAMPLING & MEDICAL EVALUATIONS WERE CONDUCTED ON WORKERS IN DRYING & BAGGING DEPT TO KAGARAX-A. WHEAL TYPE LESIONS WERE FOUND DUE TO SKIN CONTACT, & SOME SENSITIZATION TO THE ALLERGENIC COMPONENT, 2-MERCAPTOBENZOTHIAZOLE, OF KAGARAX-A WAS FOUND.
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 2934.20.8000
- RTECS-Nr.
- DL5953000
- risk_code
- 36/37/38
- Toxizität
- LD50 orl-mus: 3 g/kg SCIEAS 36(1-4),10,89
- safety_code
- 26-36/37/39
- hazard_class
- 9
- packing_group
- III
- Giftige Stoffe Daten
- 95-32-9(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as an accelerator and sulfur donor for natural and synthetic rubber; [HSDB]
Metal Machining [Category: Heat or Machine]
ACCELERATOR & SULFUR DONOR FOR NATURAL & SYNTHETIC RUBBER
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 75,000 - <500,000 lb
(1979) PROBABLY GREATER THAN 9.08X10+5 GRAMS
(1981) PROBABLY GREATER THAN 4.54X10+5 GRAMS
>450,000 kg in 1977.
General Manufacturing Information
Rubber Product Manufacturing
Benzothiazole, 2-(4-morpholinyldithio)-: ACTIVE
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