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2-Benzothiazolyl-N-morpholinosulfide
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Name

2-Benzothiazolyl-N-morpholinosulfide

 EINECS 203-052-4
CAS No. 102-77-2 Density 1.34-1.40
PSA 78.90000 LogP 2.57350
Solubility N/A Melting Point 78-80 °C
Formula C11H12N2OS2 Boiling Point 413.1 °C at 760 mmHg
Molecular Weight 252.361 Flash Point 203.6 °C
Transport Information UN 3077 Appearance COA
Safety 20/21-36-61-37-26-24 Risk Codes 22-51/53-43-36/38
Molecular Structure Molecular Structure of 102-77-2 (2-(Morpholinothio)benzothiazole) Hazard Symbols IrritantXi,DangerousN
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;

Article Data 36

2-Benzothiazolyl-N-morpholinosulfide Synthetic route

110-91-8

morpholine

120-78-5

di(benzothiazol-2-yl)disulfide

102-77-2

4-(benzothiazole-2-sulfenyl)-morpholine

Conditions
ConditionsYield
With sodium hydroxide In toluene99.5%
With tetraethylammonium perchlorate In N,N-dimethyl-formamide for 16h; (electrolysis);
110-91-8

morpholine

2801-21-0

benzothiazole sulfenamide

102-77-2

4-(benzothiazole-2-sulfenyl)-morpholine

Conditions
ConditionsYield
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

dibenzolthiazolyl disulphide

dibenzolthiazolyl disulphide

N-Cyclohexyl-2-benzothiazole sulphene amide

N-Cyclohexyl-2-benzothiazole sulphene amide

120-78-5

di(benzothiazol-2-yl)disulfide

102-77-2

4-(benzothiazole-2-sulfenyl)-morpholine

Conditions
ConditionsYield
In ethanol96.5%
110-91-8

morpholine

149-30-4

2-Mercaptobenzothiazole

102-77-2

4-(benzothiazole-2-sulfenyl)-morpholine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
A 81%
B 98%

2-Benzothiazolyl-N-morpholinosulfide Chemical Properties

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

2-Benzothiazolyl-N-morpholinosulfide 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 .

2-Benzothiazolyl-N-morpholinosulfide Consensus Reports

Reported in EPA TSCA Inventory.

2-Benzothiazolyl-N-morpholinosulfide Safety Profile

Safety Information of 2-(4-Morpholino)thiobenzothiazole (CAS NO. 102-77-2):
Hazard Codes: Xi Irritant,N Dangerous
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.

2-Benzothiazolyl-N-morpholinosulfide 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)- .

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