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| CAS No.: | 102-77-2 |
|---|---|
| Name: | 2-(Morpholinothio)benzothiazole |
| Molecular Structure: | |
|
|
|
| Formula: | C11H12N2OS2 |
| Molecular Weight: | 252.361 |
| Synonyms: | Benzothiazole,2-(morpholinothio)- (6CI,7CI,8CI);Morpholine, 4-(2-benzothiazolylthio)- (9CI);2-(4-Morpholinothio)benzothiazole;2-(4-Morpholinylmercapto)benzothiazole;2-(4-Morpholinylthio)benzothiazole;2-(Morpholinothio)benzothiazole;2-Benzothiazolyl N-morpholino sulfide;2-Benzothiazolylsulfenylmorpholine;4-(2-Benzothiazolylthio)morpholine;Accel NS;Accelerator NS;Amax;Cure-riteOBTS;Delac MOR;MBS;Meramid M;N,N-(Oxydiethylene)benzothiazole-2-sulfenamide;N-Morpholino-2-benzothiazolylsulfenamide;N-Oxydiethyl-2-benzothiazolesulfenamide;N-Oxydiethylene-2-benzothiazolylsulfenamide;NOBS Special;Pilcure MOR;Rhenogran MBS 80;SA-M;Rubber Accelerator NOBS (MBS);2-Benzothiazolyl-N-morpholinosulfide; |
| EINECS: | 203-052-4 |
| Density: | 1.34-1.40 |
| Melting Point: | 78-80 °C |
| Boiling Point: | 413.1 °C at 760 mmHg |
| Flash Point: | 203.6 °C |
| Appearance: | COA |
| Hazard Symbols: |
 Xi, N
|
| Risk Codes: | 22-51/53-43-36/38 |
| Safety: | 20/21-36-61-37-26-24 |
| Transport Information: | UN 3077 |
| PSA: | 78.90000 |
| LogP: | 2.57350 |
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- 110-91-8
morpholine
- 120-78-5
di(benzothiazol-2-yl)disulfide
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In toluene | 99.5% |
| With tetraethylammonium perchlorate In N,N-dimethyl-formamide for 16h; (electrolysis); |
| Conditions | Yield |
|---|---|
| Stage #1: morpholine; benzothiazole sulfenamide With potassium sulfate In tetrachloromethane at 37℃; for 2h; Stage #2: With potassium hexacyanoferrate(III) In tetrachloromethane at 58℃; for 3.83333h; Temperature; | 98.9% |
| at 50℃; for 0.416667h; Product distribution; other bases; |
- 110-91-8
morpholine
- 120-78-5
di(benzothiazol-2-yl)disulfide
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
| Conditions | Yield |
|---|---|
| In ethanol | 96.5% |
| Conditions | Yield |
|---|---|
| With iodine In tetrahydrofuran; benzene for 0.166667h; Ambient temperature; | 93% |
| With N-chloro-succinimide In dichloromethane at 0℃; for 3h; | 90% |
| With tetrabutylammonium tetrafluoroborate In acetonitrile at 20℃; for 10h; Sealed tube; Electrochemical reaction; | 86% |
- 110-91-8
morpholine
- 149-30-4
2-thioxo-3H-1,3-benzothiazole
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
| Conditions | Yield |
|---|---|
| With chlorine; benzene | |
| With sodium hydroxide; iodine; potassium iodide | |
| With chlorine; toluene |
- 23328-69-0
4-chloromorpholine
- 149-30-4
2-thioxo-3H-1,3-benzothiazole
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
| Conditions | Yield |
|---|---|
| With chlorobenzene weiteres Edukt: Morpholin; |
- 23328-69-0
4-chloromorpholine
- 120-78-5
di(benzothiazol-2-yl)disulfide
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
| Conditions | Yield |
|---|---|
| With chlorobenzene weiteres Edukt: Morpholin; |
- 110-91-8
morpholine
- 149-30-4
2-Mercaptobenzothiazole
- 7757-83-7
sodium sulfite
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium hypochlorite In water; isopropyl alcohol |
- 691-96-3
diisopropyl phosphite
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
A
- 149-30-4
2-Mercaptobenzothiazole
B
- 74124-50-8
diisopropyl morpholinophosphonate
| Conditions | Yield |
|---|---|
| A 100% B 96% |
- 96-36-6, 868-85-9
methyl phosphite
- 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine
A
- 597-25-1
N,N-oxydiethylene-O,O-dimethylphosphoramidate
B
- 149-30-4
2-Mercaptobenzothiazole
| Conditions | Yield |
|---|---|
| A 81% B 98% |
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Chemistry
Molecular Structure of 2-(4-Morpholino)thiobenzothiazole (CAS NO. 102-77-2):
IUPAC Name: 4-(1,3-Benzothiazol-2-ylsulfanyl)morpholine
Molecular Formula: C11H12N2OS2
Molecular Weight: 252.355780 g/mol
Index of Refraction: 1.706
Molar Refractivity: 70.36 cm3
Molar Volume: 180.7 cm3
Surface Tension: 67.8 dyne/cm
Density: 1.39 g/cm3
Flash Point: 203.6 °C
Enthalpy of Vaporization: 66.58 kJ/mol
Boiling Point: 413.1 °C at 760 mmHg
Vapour Pressure: 4.94E-07 mmHg at 25 °C
Melting Point: 78-80 °C
EINECS: 203-052-4
Product Categories: Industrial/Fine Chemicals;Intermediates;Aromatic Morpholines
Toxicity Data With Reference
| 1. | eye-rbt 100 mg/24H MOD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky .Marhold, J.,Prague,Czechoslovakia, Avicenum.: 1986,1099. | ||
| 2. | dnr-esc 10 µg/tube | ENMUDM Environmental Mutagenesis. 5 (1983),193. | ||
| 3. | mma-mus:lym 15 mg/L | ENMUDM Environmental Mutagenesis. 5 (1983),193. | ||
| 4. | otr-mus:emb 200 µg/L | ENMUDM Environmental Mutagenesis. 5 (1983),193. | ||
| 5. | msc-mus:lym 10 mg/L | ENMUDM Environmental Mutagenesis. 5 (1983),193. | ||
| 6. | orl-rat LD50:1980 mg/kg | IPSTB3 International Polymer Science and Technology. 3 (1976),93. | ||
| 7. | orl-mus LD50:1870 mg/kg | 20ZJAG Toksikologiia Novykh Khimicheskikh Veshchesty, Vnedriaemykh V . Rezinovuiu I Shinnaiu Promyshlennost,1968,64. NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-(4-Morpholino)thiobenzothiazole (CAS NO. 102-77-2):
Hazard Codes: Xi 
,N 
Risk Statements: 22-51/53-43-36/38
R22:Harmful if swallowed
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R43:May cause sensitization by skin contact
R36/38:Irritating to eyes and skin
Safety Statements: 20/21-36-61-37-26-24
S20:When using, do not eat or drink
S21:When using do not smoke
S36:Wear suitable protective clothing
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
S37:Wear suitable gloves
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S24:Avoid contact with skin
RIDADR: 3077
RTECS: DL5950000
Poison by intraperitoneal route. Moderately toxic by ingestion. Questionable carcinogen with experimental neoplastigenic data. Experimental teratogenic effects. An eye irritant. Mutation data reported. See also MERCAPTANS and SULFIDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Specification
2-(4-Morpholino)thiobenzothiazole with cas registry number of 102-77-2 is also called 2-(Morpholinothio)benzothiazole ; 4-(2-Benzothiazolylthio)-morpholine ; N-Oxydiethylene-benzothiazolesulfenamide ; N-Oxydiethylenebenzothiazole-2-sulfenamide ; Benzothiazole, 2-(morpholinothio)- .