2-Benzothiazolyl-N-morpholinosulfide supplier

Name
2-(Morpholinothio)benzothiazole
EINECS 203-052-4
CAS No. 102-77-2
Article Data36
CAS DataBase
Density 1.34-1.40
Solubility
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
Hazard Symbols Xi,N
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;
PSA 78.90000
LogP 2.57350

Synthetic route

: 110-91-8
morpholine

: 120-78-5
di(benzothiazol-2-yl)disulfide

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

Conditions

Conditions	Yield
With sodium hydroxide In toluene	99.5%
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

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

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

Conditions	Yield
In ethanol	96.5%

...Expand

: 110-91-8
morpholine

: 149-30-4
2-Mercaptobenzothiazole

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

Conditions

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

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

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

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

Conditions	Yield
With sodium hydroxide; sodium hypochlorite In water; isopropyl alcohol

...Expand

: 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

Conditions	Yield
	A 100% B 96%

...Expand

: 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

Conditions	Yield
	A 81% B 98%

...Expand

: 762-04-9, 123-22-8
Diethyl phosphonate

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

A: 37097-43-1
Diethyl 4-morpholidophosphate

B: 149-30-4
2-Mercaptobenzothiazole

Conditions

Conditions	Yield
	A 98% B 96%

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 21588-51-2
2-morpholinosulphinyl-benzothiazole

Conditions

Conditions	Yield
With sodium hypochlorite; NaClO; sodium carbonate In water	93%

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 121-45-9
phosphorous acid trimethyl ester

A: 615-22-5
2-methylmercaptobenzothiazole

B: 597-25-1
N,N-oxydiethylene-O,O-dimethylphosphoramidate

C: 149-30-4
2-Mercaptobenzothiazole

Conditions

Conditions	Yield
	A 83% B 91% C 17%

...Expand

: 102-85-2
tri-n-butyl phosphite

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

A: 2314-17-2
2-(but-1-ylthio)benzo[d]thiazole

B: 149-30-4
2-Mercaptobenzothiazole

C: 7264-96-2
di-n-butyl morpholinophosphonate

Conditions

Conditions	Yield
	A 76% B 21% C 85%

...Expand

: 116-17-6
triisopropyl phosphite

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

A: 27410-44-2
2-(isopropylthio)benzo[d]thiazole

B: 149-30-4
2-Mercaptobenzothiazole

C: 74124-50-8
diisopropyl morpholinophosphonate

Conditions

Conditions	Yield
	A 72% B 28% C 84%

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 89330-16-5
5,5-Dimethyl-2-oxo-1-cycloheptancarbonsaeure-ethylester

: 89330-06-3
2-(Benzothiazol-2-ylsulfanyl)-5,5-dimethyl-octanedioic acid 1-ethyl ester 8-methyl ester

Conditions

Conditions	Yield
In methanol 8h reflux, 14h at 60 degC;	77%

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 122-52-1
triethyl phosphite

A: 2757-92-8
2-(ethylthio)benzothiazole

B: 37097-43-1
Diethyl 4-morpholidophosphate

C: 149-30-4
2-Mercaptobenzothiazole

Conditions

Conditions	Yield
	A 70% B 74% C 30%

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 121-45-9
phosphorous acid trimethyl ester

A: 615-22-5
2-methylmercaptobenzothiazole

B: 597-25-1
N,N-oxydiethylene-O,O-dimethylphosphoramidate

Conditions

Conditions	Yield
In toluene for 0.33h; Ambient temperature; Yields of byproduct given;	A n/a B 67%

...Expand

: 70203-04-2
2-acetyl-octanoic acid methyl ester

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 70203-06-4
2-benzothiazol-2-ylsulfanyl-octanoic acid methyl ester

Conditions

Conditions	Yield
In methanol for 7h; Heating;
In methanol for 15h; Heating;

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 70945-18-5
2-acetyl-oct-5c-enoic acid methyl ester

: 70905-80-5
2-benzothiazol-2-ylsulfanyl-oct-5c-enoic acid methyl ester

Conditions

Conditions	Yield
In methanol for 15h; Heating;

: 67-56-1
methanol

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 611-10-9
2-ethoxycarbonyl-1-cyclopentanone

: 70203-10-0
2-benzothiazol-2-ylsulfanyl-hexanedioic acid 1-ethyl ester 6-methyl ester

Conditions

Conditions	Yield
for 7h; Heating;

...Expand

: 64-17-5
ethanol

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 611-10-9
2-ethoxycarbonyl-1-cyclopentanone

: 70203-11-1
2-benzothiazol-2-ylsulfanyl-hexanedioic acid diethyl ester

Conditions

Conditions	Yield
for 7h; Heating;

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 105-45-3
acetoacetic acid methyl ester

: 24044-87-9
methyl (1,3-benzothiazol-2-ylsulfanyl)acetate

Conditions

Conditions	Yield
In methanol for 7h; Heating;

: 67-56-1
methanol

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 41302-34-5
2-(methoxycarbonyl)cyclohexanone

: 70203-12-2
2-benzothiazol-2-ylsulfanyl-heptanedioic acid dimethyl ester

Conditions

Conditions	Yield
for 7h; Heating;

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 120-92-3
cyclopentanone

: 68898-25-9
2-benzothiazol-2-ylsulfanyl-cyclopentanone

Conditions

Conditions	Yield
With acetic acid In benzene at 55 - 60℃; for 7h;

: 67-56-1
methanol

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 10472-24-9
methyl 2-oxocyclopentane-1-carboxylate

: 70203-07-5
2-benzothiazol-2-ylsulfanyl-hexanedioic acid dimethyl ester

Conditions

Conditions	Yield
for 7h; Heating;

...Expand

: 64-17-5
ethanol

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 10472-24-9
methyl 2-oxocyclopentane-1-carboxylate

: 70203-08-6
2-benzothiazol-2-ylsulfanyl-hexanedioic acid 6-ethyl ester 1-methyl ester

Conditions

Conditions	Yield
for 7h; Heating;

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 10472-24-9
methyl 2-oxocyclopentane-1-carboxylate

: 70203-09-7
2-benzothiazol-2-ylsulfanyl-6-morpholin-4-yl-6-oxo-hexanoic acid methyl ester

Conditions

Conditions	Yield
In benzene for 7h; Heating;

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 103959-24-6
trans-2-Methoxy-4-methyl-1,3,2-dioxaphosphorinan

: trans-2-(N,N-oxydiethyleneamino)-4-methyl-1,3,2-dioxaphosphorinan-2-oxide

: cis-2-(N,N-oxydiethyleneamino)-4-methyl-1,3,2-dioxaphosphorinan-2-oxide

Conditions

Conditions	Yield
In dichloromethane at 0℃; Yield given. Yields of byproduct given;
In benzene at 0℃; Yield given. Yields of byproduct given;

...Expand

: 102-77-2
4-(benzothiazole-2-sulfenyl)-morpholine

: 103959-25-7
cis-2-methoxy-4-methyl-1,3,2-dioxaphosphorinane

: trans-2-(N,N-oxydiethyleneamino)-4-methyl-1,3,2-dioxaphosphorinan-2-oxide

: cis-2-(N,N-oxydiethyleneamino)-4-methyl-1,3,2-dioxaphosphorinan-2-oxide

Conditions

Conditions	Yield
In dichloromethane at 0℃; Yield given. Yields of byproduct given;
In benzene at 0℃; Yield given. Yields of byproduct given;

...Expand

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 NO_x and SO_x.

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)- .

Product Name

2-(Morpholinothio)benzothiazole

Synthetic route

2-Benzothiazolyl-N-morpholinosulfide Chemical Properties

2-Benzothiazolyl-N-morpholinosulfide Toxicity Data With Reference

2-Benzothiazolyl-N-morpholinosulfide Consensus Reports

2-Benzothiazolyl-N-morpholinosulfide Safety Profile

2-Benzothiazolyl-N-morpholinosulfide Specification

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