1,2-Benzisothiazolin-3-one supplier

Name
1,2-Benzisothiazolin-3-one
EINECS 220-120-9
CAS No. 2634-33-5
Article Data55
CAS DataBase
Density 1.367 g/cm³
Solubility 1 g/L in water
Melting Point 154-158 ºC
Formula C₇H₅NOS
Boiling Point 204.5 ºC at 760 mmHg
Molecular Weight 151.189
Flash Point 77.5 ºC
Transport Information UN 3077 9/PG 3
Appearance white to pale yellow powder
Safety 24-26-37/39-61
Risk Codes 22-38-41-43-50
Molecular Structure
Hazard Symbols Xn,N
Synonyms 1,2-benzeisothiazoline-3-one (BIT);1,2-Benzisothiazolin-3-one (BIT);1,2-Benzisothiazolin-3-one(6CI,7CI,8CI);1,2-Benzisothiazolone;Acticide BIT;ApizasAP-DS;1,2-Benzisothiazol-3(2H)-one;Benzisothiazolone;Benzocil;
PSA 61.10000
LogP 1.58960

Synthetic route

: 6609-54-7
2-cyanothioanisole

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
Stage #1: 2-cyanothioanisole With chlorine In water; chlorobenzene at 45 - 70℃; for 5h; Stage #2: With water; sodium hydroxide In chlorobenzene at 65 - 70℃; Concentration; Time;	99%
Stage #1: 2-cyanothioanisole With hydrogenchloride; water; chlorine In chlorobenzene at 45 - 70℃; for 3h; Stage #2: With water; sodium hydroxide In chlorobenzene at 65 - 70℃;	98%
Stage #1: 2-cyanothioanisole With chlorine In chlorobenzene at 40 - 80℃; Stage #2: With sodium hydroxide In water at 60 - 70℃; pH=10 - 12; Stage #3: With hydrogenchloride In water at 20 - 30℃; for 1h; pH=4 - 6;	90%

: 2-(dodecylthio)benzonitrile

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 112-52-7
1-chlorododecane

Conditions

Conditions	Yield
With sulfuryl dichloride; water In chlorobenzene at 20 - 65℃; for 3h; Reagent/catalyst;	A 97.2% B 143 g
With water; chlorine In chlorobenzene at 20 - 65℃; for 3h; Reagent/catalyst;

: 2-(dodecylthio)benzonitrile

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 873-32-5
2-Chlorobenzonitrile

C: 112-52-7
1-chlorododecane

Conditions

Conditions	Yield
Stage #1: 2-(dodecylthio)benzonitrile With sulfuryl dichloride; water In chlorobenzene at 20 - 65℃; for 3h; Stage #2: With sodium hydroxide In water at 60 - 65℃; pH=9 - 10; Stage #3: With hydrogenchloride In water at 20 - 30℃; pH=3 - 4; Reagent/catalyst;	A 106 g B 97.2% C 143 g

...Expand

: 873-32-5
2-Chlorobenzonitrile

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
Stage #1: 2-Chlorobenzonitrile With tetrabutylammomium bromide; sodium thioethylate In water; chlorobenzene for 2h; Inert atmosphere; Reflux; Stage #2: With sulfuryl dichloride; water In chlorobenzene at 5 - 80℃; for 1h;	97%
Stage #1: 2-Chlorobenzonitrile With potassium carbonate; ethane-1,2-dithiol In 1,2-dichloro-ethane at 80℃; for 5h; Stage #2: With chlorine at 40 - 80℃; for 3h;	93.08%
With tetrabutylammomium bromide; sodium thiomethoxide at 70 - 80℃; for 0.666667h; Temperature; Reagent/catalyst;	92%

: 33174-74-2
2,2 dithiobis(benzonitrile)

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With oxygen; (tetracarboxyphalocyaninato)copper(II) In water at 40℃; under 4500.45 Torr; for 8h; Reagent/catalyst; Temperature; Pressure;	96%

: 1160509-17-0
2-cyanophenyl octyl sulfide

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 111-85-3
1-Chlorooctane

Conditions

Conditions	Yield
With water; chlorine In chlorobenzene at 20 - 65℃; for 3h;	A 94.5% B 100 g
With water; chlorine In chlorobenzene at 20 - 65℃; for 3h;

: 1160509-17-0
2-cyanophenyl octyl sulfide

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 873-32-5
2-Chlorobenzonitrile

C: 111-85-3
1-Chlorooctane

Conditions

Conditions	Yield
Stage #1: 2-cyanophenyl octyl sulfide With water; chlorine In chlorobenzene at 20 - 65℃; for 3h; Stage #2: With sodium hydroxide In water at 60 - 65℃; pH=9 - 10; Stage #3: With hydrogenchloride In water at 20 - 30℃; pH=3 - 4;	A 103 g B 94.5% C 100 g

...Expand

: 55-21-0
benzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With oxygen; sodium thiosulfate; alpha cyclodextrin; iron(II) chloride In water at 40℃; Reagent/catalyst; Temperature;	94.5%

: 2-(octadecylthio)benzonitrile

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 3386-33-2
1-chlorooctadecane

Conditions

Conditions	Yield
With water; chlorine In chlorobenzene at 20 - 65℃; for 3h;	A 93.5% B 210 g
With water; chlorine In chlorobenzene at 20 - 65℃; for 3h;

: 2-(octadecylthio)benzonitrile

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 873-32-5
2-Chlorobenzonitrile

C: 3386-33-2
1-chlorooctadecane

Conditions

Conditions	Yield
Stage #1: 2-(octadecylthio)benzonitrile With water; chlorine In chlorobenzene at 20 - 65℃; for 3h; Stage #2: With sodium hydroxide In water at 60 - 65℃; pH=9 - 10; Stage #3: With hydrogenchloride In water at 20 - 30℃; pH=3 - 4;	A 102 g B 93.5% C 210 g

...Expand

: 2527-57-3
2,2'-dithiobisbenzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With chlorine; potassium iodide In 1,2-dichloro-ethane at 25 - 40℃; for 0.416667h;	93%
With bromine In dichloromethane at 0 - 20℃;	53%
With sodium hydroxide

: 5459-63-2
bis[2-(methoxycarbonyl)phenyl]disulfide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
Stage #1: bis[2-(methoxycarbonyl)phenyl]disulfide With acetamide; sodium methylate In toluene at 80℃; for 2h; Stage #2: With dihydrogen peroxide at 50 - 55℃; Stage #3: With hydrogenchloride at 25℃;	90%

: 94266-24-7
2-methoxycarbonylbenzenesulfenamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h; Cyclization;	87%

: 3950-02-5
2-chlorosulfenylbenzoyl chloride

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With ammonia In dichloromethane at -15 - 20℃; for 2h;	85%
With ammonia In 1,2-dichloro-ethane at 60℃; for 3h;	84%
With ammonium hydroxide
With ammonia In tetrachloromethane for 3h; Ambient temperature; Yield given;
With ammonium hydroxide In dichloromethane for 1h; Yield given;

: 54705-16-7
2-methylsulfanyl-benzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With N-bromophthalimide In 1,1,2,2-tetrachloroethane at 50 - 60℃;	85%
With Selectfluor In acetonitrile at 80℃; for 12h; Schlenk technique; Sealed tube;	80%
With sulfuryl dichloride In toluene

: 147-93-3
Thiosalicylic acid

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With pyridine; diphenyl phosphoryl azide; triethylamine at 20℃; for 6h; Cyclization;	81%
Multi-step reaction with 2 steps 2: alcohol; ammonia gas View Scheme
Multi-step reaction with 2 steps 2: alcohol; ammonia gas View Scheme

: o-aminoformylphenyl tert-butylsulfoxide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
In toluene at 100℃; for 4h; Inert atmosphere;	81%

: 5697-20-1
2-mercaptobenzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With dihydrogen peroxide In 1-methyl-pyrrolidin-2-one; water at 20℃; for 0.5h;	80.8%
With potassium hydroxide; hydroxylamine-O-sulfonic acid In methanol; water at 0℃; for 3h;	52%
Multi-step reaction with 2 steps 1: air 2: durch Bromieren in Tetrachlorkohlenstoff und Kochen des Reaktionsprodukts mit Eisessig View Scheme

: 609-66-5
2-chlorobenzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
Stage #1: 2-chlorobenzamide With sodium sulfide In 1-methyl-pyrrolidin-2-one; water at 130 - 190℃; for 4h; Inert atmosphere; Stage #2: With dihydrogen peroxide In 1-methyl-pyrrolidin-2-one; water Temperature; Solvent;	80.8%
With carbon disulfide; L-proline; copper(I) bromide In dimethyl sulfoxide at 80℃; for 6h;	35%
Multi-step reaction with 2 steps 1: sodium sulfide hydrate / 1-methyl-pyrrolidin-2-one / 4 h / 160 °C 2: dihydrogen peroxide / 1-methyl-pyrrolidin-2-one; water / 0.5 h / 20 °C View Scheme

: 1197040-29-1
phenyl isocyanate

: o-aminoformylphenyl tert-butylsulfoxide

A: 15601-88-4
2-(phenylamino)-4H-benzo[e][1,3]thiazin-4-one

B: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
In toluene at 100℃; for 4h; Inert atmosphere;	A 79% B 5%

...Expand

: 3930-83-4
o-iodobenzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With carbon disulfide; L-proline; copper(I) bromide In dimethyl sulfoxide at 80℃; for 6h; Reagent/catalyst; Solvent; Temperature;	77%

: 67-56-1
methanol

: 54856-20-1
N-[(2-methoxycarbonylbenzene)sulfenyl]-1,2-benzisothiazolin-3-one

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: methyl 2-methoxycarbonylbenzenesulfenate

Conditions

Conditions	Yield
With sodium methylate In dichloromethane at 20℃; for 2.5h; Cyclization; alkoxylation;	A 34% B 71%

...Expand

: 256947-56-5
ethyl 2-sulfenamoylbenzoate

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h; Cyclization;	69%

: 4001-73-4
2-Bromobenzamide

: 333-20-0
potassium thioacyanate

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide; 1,10-Phenanthroline; tetra-(n-butyl)ammonium iodide In water at 20 - 140℃; for 48.5h; Inert atmosphere;	60%

: 94266-24-7
2-methoxycarbonylbenzenesulfenamide

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 5459-63-2
bis[2-(methoxycarbonyl)phenyl]disulfide

C: 55255-14-6
N-2-methoxycarbonylphenylthio-2-methoxycarbonylbenzenesulfenamide

D: 54856-20-1
N-[(2-methoxycarbonylbenzene)sulfenyl]-1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
In toluene at 100℃; for 5h; Cyclization;	A 23% B 13% C 5% D 58%

...Expand

: 66304-00-5
1-oxo-1H-1λ4-benzo[1,2]dithiol-3-one

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With ammonia In dichloromethane for 1h; Ambient temperature;	55%

: 62-53-3
aniline

: 94266-24-7
2-methoxycarbonylbenzenesulfenamide

A: 2634-33-5
1,2-benzisothiazolin-3-one

B: 34757-99-8
methyl 2-(N-phenylsulfenamoyl)benzoate

Conditions

Conditions	Yield
In toluene at 100℃; for 8h;	A 49% B 48%

...Expand

: 4001-73-4
2-Bromobenzamide

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With carbon disulfide; L-proline; copper(I) bromide In dimethyl sulfoxide at 80℃; for 6h;	48%
Stage #1: 2-Bromobenzamide With sulfur; [2,2]bipyridinyl; copper(l) iodide; potassium carbonate In 1-methyl-pyrrolidin-2-one at 110℃; for 24h; Inert atmosphere; Stage #2: With pyridine; N-methoxylamine hydrochloride In 1-methyl-pyrrolidin-2-one at 110℃; for 3h; Inert atmosphere;	15%

: 3759-77-1
benzo[b]thieno[3,2-e]thiepino-4(10H)-one

: 2634-33-5
1,2-benzisothiazolin-3-one

Conditions

Conditions	Yield
With sodium azide; sulfuric acid In dichloromethane for 72h; Ambient temperature;	45%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 75-59-2
tetramethyl ammoniumhydroxide

: 400089-65-8
tetramethylammonium 1,2-benzisothiazol-3-one

Conditions

Conditions	Yield
In water pH=9.58;	100%
In water pH=9.0;

: 2634-33-5
1,2-benzisothiazolin-3-one

: 5416-93-3
4-Methoxyphenyl isocyanate

: 1423967-86-5
N-(4-methoxyphenyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	99%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 14649-03-7, 33375-06-3, 65451-96-9, 1837-73-6
1-phenylethylisocyanate

: 1437999-75-1
N-(α-methylbenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	99%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 102422-56-0
3-fluorobenzylisocyanate

: 1438000-08-8
N-(3-fluorobenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	99%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 112-55-0
1-dodecylthiol

: 2-(dodecyldithio)benzamide

Conditions

Conditions	Yield
In methanol at 20℃; for 0.5h;	98%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 3173-56-6
benzyl isothiocyanate

: 3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid benzylamide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	98%
In tetrahydrofuran at 45℃; for 1h;	88%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 700-87-8
1-Isocyanato-2-methoxy-benzene

: 1403613-12-6
N-(2-methoxyphenyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	98%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 16744-98-2
1-Fluoro-2-isocyanato-benzene

: 1437999-29-5
N-(2-fluorophenyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	98%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 56651-60-6
4-methoxybenzyl isocyanate

: 1437999-95-5
N-(4-methoxybenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	98%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 58249-25-5
sale sodico del 1,2-benzisotiazolin-3-one

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 50℃; for 1h;	98%
With sodium hydroxide In ethanol at 20℃; for 0.5h;	95%
With sodium hydroxide at 50℃;	92%
With sodium hydride In methanol for 2h; Reflux;

: 2634-33-5
1,2-benzisothiazolin-3-one

: 1912-32-9
n-butyl methanesulfonate

: 4299-07-4
2-butyl-1,2-benzothiazolin-3-one

Conditions

Conditions	Yield
Stage #1: 1,2-benzisothiazolin-3-one With sodium methylate In methanol at 0℃; for 1h; Stage #2: n-butyl methanesulfonate In methanol for 6h; Temperature;	98%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 7646-85-7
zinc(II) chloride

: C14H10Cl2N2O2S2Zn

Conditions

Conditions	Yield
In water; cyclohexanone at 95 - 156℃; Temperature; Solvent; Large scale;	97.6%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 74-87-3
methylene chloride

: 2527-66-4
2-methyl-1,2-benzisothiazole-3(2H)-one

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; potassium iodide; sodium hydroxide In water at 30 - 100℃; Reagent/catalyst;	97.6%
Stage #1: 1,2-benzisothiazolin-3-one; methylene chloride In water at 20 - 30℃; for 1h; Stage #2: With sodium hydroxide In water at 60 - 70℃; pH=10 - 12;	124.4 g

: 2634-33-5
1,2-benzisothiazolin-3-one

: manganese(II) chloride tetrahydrate

: C14H10Cl2MnN2O2S2

Conditions

Conditions	Yield
In cyclohexanone at 95 - 156℃; Temperature; Solvent; Large scale;	97.5%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 1,2-benzisothiazolin-3-one lithium salt

Conditions

Conditions	Yield
With lithium hydroxide In ethanol at 80℃; for 2h;	97.4%
With lithium hydroxide monohydrate at 80℃; for 1.5h;	71.2%
With lithium hydroxide In methanol; water for 1h; Heating / reflux;

: 2634-33-5
1,2-benzisothiazolin-3-one

: 127553-58-6
1,2-benzisothiazolin-3-one potassium salt

Conditions

Conditions	Yield
With potassium hydroxide In acetic acid at 50℃; for 1h;	97.2%
With potassium hydroxide In water

: 2634-33-5
1,2-benzisothiazolin-3-one

: 18908-07-1
3-methoxyphenyl isocyanate

: 1437998-97-4
N-(3-methoxyphenyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	97%
In dichloromethane for 0.5h; Reflux;	88%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 1195-45-5
para-fluorophenyl isocyanate

: 1437999-43-3
N-(4-fluorophenyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	97%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 327-78-6
4-chloro-3-(trifluoromethyl)phenyl isocyanate

: 1437999-63-7
N-[4-chloro-3-(trifluoromethyl)phenyl]benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	97%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 132740-43-3
4-fluorobenzylisocyanate

: 1438000-14-6
N-(4-fluorobenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	97%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 93489-08-8
1-(isocyanatomethyl)-2-methoxybenzene

: 1437999-81-9
N-(2-methoxybenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	96%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 2-fluorobenzyl isocyanate

: 1438000-02-2
N-(2-fluorobenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	96%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 103-71-9
phenyl isocyanate

: 51584-04-4
3-oxo-N-phenylbenzo[d]isothiazole-2(3H)-carboxamide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	95%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 404-71-7
1-fluoro-3-isocyanatobenzene

: 1437999-36-4
N-(3-fluorophenyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	95%

: 2634-33-5
1,2-benzisothiazolin-3-one

: 57198-56-8
1-(isocyanatomethyl)-3-methoxybenzene

: 1437999-88-6
N-(3-methoxybenzyl)benzisothiazol-3-one-2-amide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane for 0.5h; Reflux;	95%

1,2-Benzisothiazolin-3-one Specification

The 1,2-Benzisothiazolin-3-one, with the CAS registry number 2634-33-5,is also known as 1,2-Benzisothiazol-3(2H)-one; Benzisothiazolin-3-one; Proxan; Proxel; Proxel XL; Proxil. It belongs to the product categories of Chromatography;Environmental Standards;Food &;Heterocyclic Building Blocks. This chemical's molecular formula is C₇H₅NOS and molecular weight is 151.18. Its EINECS number is 220-120-9.What's more,Its systematic name is 1,2-Benzisothiazolin-3-one.It is a Yellow Powder which is a preservative in plastic emulsion which causes contact dermatitis.It is used as a preservative in emulsion paints, varnishes, adhesives, washing agents, fuels and in the papermaking process. In paints, it is commonly used as a mixture with methylisothiazolinone.

Physical properties about 1,2-Benzisothiazolin-3-one are:
(1)ACD/LogP: 1.953; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.96; (6)ACD/BCF (pH 7.4): 17.93; (7)ACD/KOC (pH 5.5): 275.05; (8)ACD/KOC (pH 7.4): 274.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 40.844 cm3; (14)Molar Volume: 110.533 cm3; (15)Surface Tension: 52.9819984436035 dyne/cm; (16)Density: 1.368 g/cm3; (17)Flash Point: 77.5 °C; (18)Enthalpy of Vaporization: 45.88 kJ/mol; (19)Boiling Point: 204.5 °C at 760 mmHg; (20)Vapour Pressure: 0.183 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C1c2ccccc2SN1;
(2)Std. InChI:InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9);
(3)Std. InChIKey:DMSMPAJRVJJAGA-UHFFFAOYSA-N.

Safety Information of 1,2-Benzisothiazolin-3-one:
The 1,2-Benzisothiazolin-3-one is harmful if swallowed and irritating to skin. It has Risk of serious damage to the eyes ,and it may cause sensitization by skin contact. This chemical is very toxic to aquatic organisms.Avoid release to the environment. Refer to special instructions / safety data sheets. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you use it ,wear suitable gloves and eye/face protection and avoid contact with skin.

The toxicity data of Tropinone as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1150mg/kg (1150mg/kg)		Pharmacological Research Communications. Vol. 3, Pg. 385, 1971.
rat	LD50	oral	1020mg/kg (1020mg/kg)		Pharmacological Research Communications. Vol. 3, Pg. 385, 1971.

Product Name

1,2-Benzisothiazolin-3-one

Synthetic route

1,2-Benzisothiazolin-3-one Specification

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