3-Chloro-1,2-benzisothiazole supplier

Name
3-Chloro-1,2-benzisothiazole
EINECS -0
CAS No. 7716-66-7
Article Data19
CAS DataBase
Density 1.435 g/cm³
Solubility
Melting Point 38-39 °C
Formula C₇H₄ClNS
Boiling Point 176.1 °C at 760 mmHg
Molecular Weight 169.634
Flash Point 60.3 °C
Transport Information
Appearance white solid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chlorobenzo[d]isothiazole;
PSA 41.13000
LogP 2.94970

Synthetic route

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

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
In chlorobenzene; paraffin oil	92.7%
With thionyl chloride; N,N-dimethyl-formamide In chlorobenzene at 70 - 80℃; for 9h;	90%
With tetramethylurea In chlorobenzene	84.9%

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 5728-20-1
3,4-dichloro-1,2,5-thiadiazole

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
With cesium fluoride In tetrahydrofuran Reagent/catalyst; Solvent; Inert atmosphere;	76%

: 1608-42-0
benzenedizolium-2-carboxylate

: 5728-20-1
3,4-dichloro-1,2,5-thiadiazole

A: 7716-66-7
3-chloro-1,2-benzisothiazole

B ClCN: ClCN

Conditions

Conditions	Yield
In tetrahydrofuran for 0.5h; Heating;	A 35% B n/a

...Expand

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

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate

: 4163-05-7
3-Chlor-2-methyl-1,2-benzisothiazoliumchlorid

: 7716-66-7
3-chloro-1,2-benzisothiazole

1.2-benzisothiazolone: 1.2-benzisothiazolone

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
With phosphorus pentachloride; trichlorophosphate at 130 - 140℃;

: 19602-82-5
2,2'-dithiodibenzoic acid dichloride

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Cl2 / CH2Cl2 2: concd NH4OH / CH2Cl2 / 1 h 3: 77 percent / POCl3 / 3.5 h / 20 - 120 °C View Scheme

: 119-80-2
2,2'-dithiobenzoic acid

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 71 percent / SOCl2 / dimethylformamide; toluene / 18 h / 75 °C 2: Cl2 / CH2Cl2 3: concd NH4OH / CH2Cl2 / 1 h 4: 77 percent / POCl3 / 3.5 h / 20 - 120 °C View Scheme

: 3950-02-5
2-chlorosulfenylbenzoyl chloride

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concd NH4OH / CH2Cl2 / 1 h 2: 77 percent / POCl3 / 3.5 h / 20 - 120 °C View Scheme

: 118-92-3
anthranilic acid

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pentyl nitrile 2: 35 percent / tetrahydrofuran / 0.5 h / Heating View Scheme

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

: 7732-18-5
water

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
With trichlorophosphate

: 40991-38-6
3-methoxy-1,2-benzoisothiazole

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
With tributyl-amine; trichlorophosphate at 20 - 115℃;	6.97 g

: 5728-16-5
3-methoxy-4-chloro-1,2,5-thiadiazole

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

A: 7716-66-7
3-chloro-1,2-benzisothiazole

B: 40991-38-6
3-methoxy-1,2-benzoisothiazole

Conditions

Conditions	Yield
With cesium fluoride In tetrahydrofuran at 60℃; Inert atmosphere; Overall yield = 75 %;

...Expand

: 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

A: 7716-66-7
3-chloro-1,2-benzisothiazole

B: 22801-59-8
3-(morpholin-4-yl)-1,2-benzoisothiazole

Conditions

Conditions	Yield
With cesium fluoride In tetrahydrofuran at 60℃; Inert atmosphere; Overall yield = 83 %;

...Expand

: 873-32-5
2-Chlorobenzonitrile

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrabutylammomium bromide; sodium hydroxide; Octanethiol / chlorobenzene; water / 4 h / 65 - 70 °C / Inert atmosphere 2: thionyl chloride / chlorobenzene; N,N-dimethyl-formamide / 10 h / 75 °C View Scheme

: 6609-54-7
2-cyanothioanisole

: 7716-66-7
3-chloro-1,2-benzisothiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride; chlorine / chlorobenzene; water / 1.5 h / 25 - 65 °C 2: trichlorophosphate / N,N-dimethyl-formamide; toluene / 3.5 h / 0 - 60 °C / Inert atmosphere View Scheme

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 859154-07-7
4-[4-(4-chloro-phenyl)-5-methyl-4H-[1,2,4]triazol-3-yl]-piperidine

: 3-{4-[4-(4-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-1,2-benzisothiazole

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 48h;	98%

: 110-85-0
piperazine

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 1-(2-cyanophenylthio)piperazine

Conditions

Conditions	Yield
In tetrahydrofuran at 60 - 65℃; for 17h; Inert atmosphere;	89%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 22979-35-7
Methyl phenyldiazoacetate

: 1044822-25-4
methyl 4-chloro-2-phenyl-2H-benzo[e][1,3]thiazine-2-carboxylate

Conditions

Conditions	Yield
dirhodium tetraacetate In dichloromethane for 0.25h; Heating;	88%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 108-59-8
malonic acid dimethyl ester

: 35212-85-2
3-Amino-benzo[b]thiophene-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
Stage #1: malonic acid dimethyl ester With sodium methylate In methanol for 0.0833333h; Inert atmosphere; Stage #2: 3-chloro-1,2-benzisothiazole In methanol at 20℃; for 0.5h; Reagent/catalyst; Inert atmosphere;	88%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 392-83-6
o-trifluoromethylphenyl bromide

: 1393880-01-7
3-(2-trifluoromethylphenyl)benzisothiazole

Conditions

Conditions	Yield
Stage #1: o-trifluoromethylphenyl bromide With n-butyllithium; Triisopropyl borate In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: 3-chloro-1,2-benzisothiazole With potassium phosphate; chloro-(2-dicyclohexylphosphino-2,4,6-triisopropyl-1,1-biphenyl)[2-(2-amino-1,1-biphenyl)]palladium(II) In tetrahydrofuran; hexane; water at 40℃; for 2h; Suzuki-Miyaura Coupling; Inert atmosphere;	87%

Yield

Stage #1: o-trifluoromethylphenyl bromide With n-butyllithium; Triisopropyl borate In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: 3-chloro-1,2-benzisothiazole With potassium phosphate; chloro-(2-dicyclohexylphosphino-2,4,6-triisopropyl-1,1-biphenyl)[2-(2-amino-1,1-biphenyl)]palladium(II) In tetrahydrofuran; hexane; water at 40℃; for 2h; Suzuki-Miyaura Coupling; Inert atmosphere;

87%

: 110-85-0
piperazine

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 87691-87-0
3-(1-piperazinyl)-1,2-benzisothiazole

Conditions

Conditions	Yield
In ethanol at 80℃; for 36h;	85%
In ethanol at 80℃; for 18h;	79.6%
at 125℃; for 24h;	68%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 770-35-4
1-phenoxy-2-propanol

: 3-((1-phenoxypropan-2-yl)oxy)benzo[d]isothiazole

Conditions

Conditions	Yield
With C52H70NO5PPdS; sodium t-butanolate In tetrahydrofuran at 20℃; for 18h; Sealed tube; Schlenk technique;	81%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 140-29-4
phenylacetonitrile

: 86004-79-7
2-fenil-2-(1,2-benzisotiazol-3-il)acetonitrile

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Heating;	80%
With sodium ethanolate

: 110-85-0
piperazine

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 87691-88-1
3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water; isopropyl alcohol; toluene; tert-butyl alcohol	80%
With hydrogenchloride In water; toluene; tert-butyl alcohol	80%
With hydrogenchloride In water; isopropyl alcohol; toluene; tert-butyl alcohol	80%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 123-54-6
acetylacetone

: 34263-61-1
2-acetyl-3-aminobenzothiophen

Conditions

Conditions	Yield
Stage #1: acetylacetone With sodium ethanolate In ethanol for 0.333333h; Stage #2: 3-chloro-1,2-benzisothiazole In ethanol at 20℃; for 16h;	80%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 2-propylzinc bromide lithium chloride

: 3-isopropyl-benzo[d]isothiazole

Conditions

Conditions	Yield
With 2′-(dicyclohexylphophanyl)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine; C13H13NO3PdS In tetrahydrofuran; toluene at 0 - 20℃; for 1h; Negishi Coupling; Inert atmosphere;	78%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 105-53-3
diethyl malonate

: 34761-09-6
ethyl 3-aminobenzothiophene-2-carboxylate

Conditions

Conditions	Yield
Stage #1: diethyl malonate With sodium ethanolate In ethanol for 0.333333h; Inert atmosphere; Cooling with ice; Stage #2: 3-chloro-1,2-benzisothiazole In ethanol for 24h; Inert atmosphere;	76%
Stage #1: diethyl malonate With sodium ethanolate In ethanol for 0.333333h; Inert atmosphere; Cooling with ice; Stage #2: 3-chloro-1,2-benzisothiazole In ethanol for 24h; Inert atmosphere;	76%
Stage #1: diethyl malonate With sodium ethanolate In ethanol for 0.333333h; Cooling with ice; Inert atmosphere; Stage #2: 3-chloro-1,2-benzisothiazole In ethanol for 24h; Inert atmosphere;	76%

: 110-89-4
piperidine

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 22801-60-1
3-(piperidin-1-yl)-1,2-benzoisothiazole

Conditions

Conditions	Yield
Reflux;	70.8%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 140-53-4
p-chlorobenzyl cyanide

: 87792-16-3
2-(4-clorofenil)-2-(1,2-benzisotiazol-3-il)acetonitrile

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Heating;	70%

: 110-85-0
piperazine

: 7716-66-7
3-chloro-1,2-benzisothiazole

A: 3,3'-(1,4-piperazinyl)-1,2-benzisothiazole

B: 87691-88-1
3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride

Conditions

Conditions	Yield
With pyridine at 115 - 119℃; for 25h; Temperature; Solvent; Inert atmosphere;	A n/a B 67%

...Expand

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 3218-49-3
3,4-dichloro-benzeneacetonitrile

: 87792-17-4
2-(3,4-diclorofenil)-2-(1,2-benzisotiazol-3-il)acetonitrile

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Heating;	65%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 263544-12-3
3,4-dihydro-7-methoxybenzofuro[2,3-c]pyridine-2(1H)-butanamine

: 71-36-3
butan-1-ol

: N-(1,2-benzisothiazol-3-yl)-3,4-dihydro-7-methoxybenzofuro[2,3-c]pyridine-2(1H)-butanamine monohydrochloride monohydrate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane; acetone	61%

...Expand

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: Benzo[d]isothiazol-3-yl-(3,4-dimethoxy-phenyl)-acetonitrile

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Heating;	60%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: C12H15BrO2Zn

: 4-(benzo[d]isothiazol-3-yl)pentyl benzoate

Conditions

Conditions	Yield
With [1,3-bis(2,6-diisoheptylphenyl)-4,5-dichloroimidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride In tetrahydrofuran; toluene at 0 - 23℃; Negishi Coupling; Inert atmosphere; Schlenk technique;	59%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 23031-78-9
3-aminobenzisothiazole

Conditions

Conditions	Yield
With ammonia In formamide at 130℃; for 0.75h;	58%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 108-59-8
malonic acid dimethyl ester

: dimethyl 2,1-benzoisothiazole-3-malonate

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; ethanol at 20℃; for 24.5h; Inert atmosphere; Reflux;	57%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 104-47-2
p-methoxybenzylnitrile

: Benzo[d]isothiazol-3-yl-(4-methoxy-phenyl)-acetonitrile

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Heating;	45%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: [3,3']bi[benzo[d]isothiazolyl]

Conditions

Conditions	Yield
With piperazine at 120℃; for 24h;	30.8%

: 7716-66-7
3-chloro-1,2-benzisothiazole

A: 3,5-dibromo-1,2-benzisothiazole

B: 155167-97-8
3,7-dibromo-1,2-benzisothiazole

Conditions

Conditions	Yield
With bromine; iron(III) chloride In acetic acid for 20h; Heating;	A n/a B 18%

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 41533-75-9
3-chloro-7-nitro-1,2-benzisothiazole

Conditions

Conditions	Yield
With sulfuric acid; potassium nitrate at 0℃; for 3h;	15%
With sulfuric acid; potassium nitrate at 0 - 26℃; for 12h;	220 mg

: 7716-66-7
3-chloro-1,2-benzisothiazole

: 80827-65-2
8-<4-(3-methyl-1-piperazinyl)butyl>-8-azaspiro<4.5>decane-7,9-dione

: 99748-55-7
8-<4-<4-(1,2-benzisothiazol-3-yl)-3-methyl-1-piperazinyl>butyl>-8-azaspiro<4.5>decane-7,9-dione

Conditions

Conditions	Yield
at 120℃; for 16h;	8%

3-Chloro-1,2-benzisothiazole Chemical Properties

The molecular formula of 3-Chloro-1,2-benzisothiazole(7716-66-7) is C₇H₄ClNS and its formula weight is 169.63.
3-Chloro-1,2-benzisothiazole(7716-66-7) has a melting point of 38-39°C. The boiling point is 80-86°C 0,75mm.
The chemical synonyms of 3-Chloro-1,2-benzisothiazole(7716-66-7) are 3-CHLORO-1,2-BENZISOTHIAZOLE;3-CHLORO-1,2-BENZOISOTHIAZOLE;3-CHLORO-BENZO[D]ISOTHIAZOLE;3-CHLOROBENZISOTHIAZOLE;CHLOROBENZO[D]ISOTHIAZOLE;3-Chloro-1,2-Benzisonthiazole;1,2-benzisothiazole,3-(1-piperazinyl)-,monohydrochloride;2H-indole-2-one,6-choro-5-(2-chloroethyl)-1,3-dihydro
The molecular structure of 3-Chloro-1,2-benzisothiazole(7716-66-7):

3-Chloro-1,2-benzisothiazole Safety Profile

Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
Hazard Note Irritant

Product Name

3-Chloro-1,2-benzisothiazole

Synthetic route

3-Chloro-1,2-benzisothiazole Chemical Properties

3-Chloro-1,2-benzisothiazole Safety Profile

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