N-Acetylsulfanilyl chloride supplier

Name
N-Acetylsulfanilyl chloride
EINECS 204-485-1
CAS No. 121-60-8
Article Data76
CAS DataBase
Density 1.468 g/cm³
Solubility Slightly soluble in water
Melting Point 142-145 ºC
Formula C₈H₈ClNO₃S
Boiling Point 426.8 ºC at 760 mmHg
Molecular Weight 233.675
Flash Point 211.9 ºC
Transport Information UN 3261 8/PG 2
Appearance off-white to slightly grey granular cryst powder
Safety 26-36/37/39-45-28B
Risk Codes 22-34-37
Molecular Structure
Hazard Symbols C
Synonyms 4-Acetamidobenzene sulfonyl chloride;4-(Acetylamino)phenylsulfonyl chloride;4-Acetamidobenzene-1-sulfonyl chloride;4-Chlorosulfonylacetanilide;4'-(Chlorosulfonyl)acetanilide;Benzenesulfonylchloride, 4-(acetylamino)-;Acetanilide-p-sulfonyl chloride;Dagenan chloride;N-(4-Chlorosulfonylphenyl)acetamide;N-Acetyl-p-aminobenzenesulfonyl chloride;p-(Chlorosulfonyl)acetanilide;p-Acetamidobenzenesulfonyl chloride;
PSA 71.62000
LogP 2.72630

Synthetic route

: 103-84-4
Acetanilid

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
Stage #1: Acetanilid With chlorosulfonic acid In 1,1,2,2-tetrachloroethylene at 10 - 50℃; for 1.33333h; Stage #2: With thionyl chloride In 1,1,2,2-tetrachloroethylene at 63 - 70℃; for 1.33333h; Temperature;	98.4%
With chlorosulfonic acid In 1,2-dichloro-ethane at 15 - 80℃; under 760.051 Torr; for 0.216667h; Solvent; Temperature; Pressure; Flow reactor;	98%
With chlorosulfonic acid	97%

: 121-62-0
N-acetylsulfanilic acid

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride; ammonium chloride In tetrachloromethane at 60 - 72℃; for 3.5h;	86.3%
With 1,3,5-trichloro-2,4,6-triazine; triethylamine In acetone for 20h; Heating;	66%
With phosphorus pentachloride
With triethylamine In acetone at 80℃; for 0.333333h; microwave irradiation;

: 7790-94-5
chlorosulfonic acid

: 103-84-4
Acetanilid

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
at 60℃; for 0.5h;	85%
at 60℃;
In chloroform at 55℃; for 5h; Temperature; Time;

: 6034-54-4
sodium 4-acetamidobenzenesulfonate

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine; 18-crown-6 ether In acetone for 20h; Heating;	70%

: 16766-09-9
(4-acetamidophenyl)disulfide

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; chlorine

N-acetyl-sulfanilate sodium: N-acetyl-sulfanilate sodium

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride

: 7647-01-0
hydrogenchloride

: 16766-09-9
(4-acetamidophenyl)disulfide

: 7782-50-5
chlorine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

...Expand

: 16766-09-9
(4-acetamidophenyl)disulfide

: 7782-50-5
chlorine

: 64-19-7
acetic acid

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

...Expand

: 875257-66-2
thiocarbamic acid S-(4-acetylamino-phenyl ester)

: 7782-50-5
chlorine

water containing acetic acid: water containing acetic acid

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

...Expand

: 62-53-3
aniline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 140 - 150 °C 2: chlorosulfonic acid / 2 h / 12 - 60 °C View Scheme
Multi-step reaction with 2 steps 1: sodium acetate; acetic acid / 0.5 h / 20 °C 2: chlorosulfonic acid / 0.5 h / 60 °C View Scheme
Multi-step reaction with 2 steps 1: acetic acid; sodium acetate / 0.5 h / 20 °C 2: 0.5 h / 60 °C View Scheme

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 15898-43-8
sodium 4-acetamidobenzenesulfinate

Conditions

Conditions	Yield
With sodium hydrogencarbonate; sodium sulfite In water at 90℃; for 3h;	100%
With sodium hydrogencarbonate; sodium sulfite In water at 80℃; for 3h;	96.4%
With sodium hydrogencarbonate; sodium sulfite In water for 3h; Reflux;

: 75-21-8
oxirane

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 2494-89-5
2-(p-aminophenylsulfonyl)ethyl hydrogen sulfate

Conditions

Conditions	Yield
Stage #1: p-acetylaminobenzenesulfonyl chloride With sodium metabisulfite; sodium hydroxide at 30℃; pH=7 - 7.5; Stage #2: oxirane at 40℃; pH=7.5 - 8; Stage #3: With sulfuric acid at 150 - 160℃; under 3750.38 Torr;	99.7%

: 3289-50-7
2,6-dimethoxypyrimidin-4-amine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 555-25-9
4-p-acetamidobenzenesulfonamido-2,6-dimethoxypyrimidine

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 15℃; for 14h; Temperature; Large scale;	99%
With pyridine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 2158-14-7
4-acetamidobenzenesulfonyl azide

Conditions

Conditions	Yield
With sodium azide In acetone at 25℃; for 48h; Inert atmosphere;	99%
With sodium azide In acetone for 48h; Ambient temperature;	94%
With sodium azide In acetone at 0 - 20℃; for 24h; Inert atmosphere;	93%

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 121-61-9
p-acetylaminobenzenesulfonamide

Conditions

Conditions	Yield
With ammonia In dichloromethane at 20℃; for 0.166667h;	99%
With ammonia	88%
With ammonium hydroxide at 0℃;	82%

: 109-12-6
2-aminopyrimidine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 68-35-9
sulfadiazine

Conditions

Conditions	Yield
Stage #1: 2-aminopyrimidine; p-acetylaminobenzenesulfonyl chloride With calcium carbonate In toluene at 20 - 65℃; Stage #2: With water; sodium hydroxide In toluene at 100 - 115℃; Stage #3: With acetic acid pH=5 - 5.5; Reagent/catalyst;	98.5%
Stage #1: 2-aminopyrimidine; p-acetylaminobenzenesulfonyl chloride With pyridine In tetrahydrofuran at 20℃; for 6h; Inert atmosphere; Stage #2: With sodium hydroxide for 2h; Inert atmosphere; Reflux;	65%
Stage #1: 2-aminopyrimidine; p-acetylaminobenzenesulfonyl chloride With pyridine In tetrahydrofuran at 20℃; for 6h; Stage #2: With sodium hydroxide for 2h; Reflux;

: C17H19NO4

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: C41H40N4O13S3

Conditions

Conditions	Yield
With dmap; triethylamine In N,N-dimethyl-formamide at 20℃; for 8h;	98.2%

: 83-07-8
4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 32061-15-7
1-phenyl-2,3-dimethyl-4-(4'-acetylaminophenyl)sulfonylamino-5-pyrazolone

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20℃; for 1h; Substitution;	98%
With water; calcium carbonate
With pyridine
With chloroform

: 98-16-8
3-trifluoromethylaniline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: N-(4-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetamide

Conditions

Conditions	Yield
With pyridine at 20℃;	98%

: 348-54-9
2-Fluoroaniline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: C14H13FN2O3S

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 3h; Solvent; Temperature; Large scale;	98%

: 108-33-8
5-methyl-1,3,4-thiadiazol-2-amine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 39719-87-4
N-(4-(N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With pyridine at 95℃; for 1h;	97%
With pyridine at 0 - 95℃;	97%

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 1-[N-(4-Acetaminophenylsulfonyl)amino]cyclohexane carboxylic acid

Conditions

Conditions	Yield
	97%

: 38111-44-3
phenylzinc(II) bromide

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 107920-73-0
N-(4-(phenylsulfonyl)phenyl)acetamide

Conditions

Conditions	Yield
With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 0 - 20℃; for 6h; Inert atmosphere;	97%

: 24038-68-4
2,2-bis-(3-phenyl-4-hydroxyphenyl)-propane

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: C43H38N2O8S2

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 55 - 60℃; for 8h; Inert atmosphere;	96.4%

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 929-06-6
2-(2-Aminoethoxy)ethanol

: 222036-70-6
4-amino-N-[2-(2-hydroxyethoxy)ethyl]-benzenesulfonamide

Conditions

Conditions	Yield
With hydrogenchloride; triethanolamine In methanol; water	96%

: 578-66-5
8-amino quinoline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 16082-65-8
N-(4-(N-(quinolin-8-yl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	95%
With triethylamine In dichloromethane at 0 - 20℃;	91%
With pyridine at 130℃; for 0.05h; Microwave irradiation; Inert atmosphere;	82%

: 124-40-3
dimethyl amine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 54951-54-1
N-[4-(dimethylamino-4-ylsulfonyl)phenyl]acetamide

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane at 20℃; for 0.5h;	95%
In ethanol at 45℃; Substitution;	83%
With triethylamine In N,N-dimethyl-d6-formamide at 10 - 20℃; for 12h;	80%

: 62-53-3
aniline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 2080-33-3
N-[4-(phenylsulfamoyl)phenyl]acetamide

Conditions

Conditions	Yield
With pyridine at 20℃;	95%
With triethylamine In dichloromethane at 0 - 20℃; for 4h;	90%
In water at 55 - 60℃; for 1.5h;	83%

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 3989-50-2
4-acetamidobenzenesulfonylhydrazine

Conditions

Conditions	Yield
With hydrazine hydrate	95%
With hydrazine hydrate In tetrahydrofuran at 0℃; for 1h;	85.7%
With hydrazine hydrate In tetrahydrofuran at 5℃;	69%

: 1074-82-4
potassium phtalimide

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 393129-85-6
N-(4-acylaminobenzenesulphonyl)phthalimide

Conditions

Conditions	Yield
With 18-crown-6 ether In acetonitrile at 70℃; for 1h;	95%

: 24313-88-0
3,4,5-Trimethoxyaniline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: N-(4-(N-(3,4,5-trimethoxyphenyl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With pyridine In dichloromethane	95%

: 99-06-9
3-Carboxyphenol

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: C15H13NO6S

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 3h; Reagent/catalyst; Solvent; Large scale;	95%

: 110-89-4
piperidine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 5702-82-9
N-[4-(piperidin-1-sulfonyl)phenyl]acetamide

Conditions

Conditions	Yield
In water at 20℃; for 0.05h; Sonication;	94%
In methanol for 4h; Heating;	90%
In dichloromethane at 20℃; for 0.5h;	70%
In 1,4-dioxane at 80℃; for 1h;	52.14%
With acetone

: 5330-05-2
4-nitrophthalimide potassium salt

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: N-(4-acylaminobenzenesulphonyl)-4-nitrophthalimide

Conditions

Conditions	Yield
With 18-crown-6 ether In acetonitrile at 70℃; for 1h;	94%

: 19749-32-7
4-(p-aminophenyl)-2-phenylthiazole hydrochloride

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 75129-34-9
4-(p-acetamidobenzenesulphanilamido)-2-phenylthiazole

Conditions

Conditions	Yield
With pyridine Heating;	94%

: 142-84-7
di-n-propylamine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: N-(4-dipropylsulfamoyl-phenyl)-acetamide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 6h; Substitution;	94%

: 100-60-7
N-methylcyclohexylamine

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: N-[4-(cyclohexyl-methyl-sulfamoyl)-phenyl]-acetamide

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 6h; Substitution;	94%

: 18978-78-4
2-methyl-8-aminoquinoline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: 909782-32-7
4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide

Conditions

Conditions	Yield
Stage #1: 2-methyl-8-aminoquinoline; p-acetylaminobenzenesulfonyl chloride With sodium carbonate In methanol at 25 - 35℃; for 4h; Stage #2: With hydrogenchloride In water at 80℃; for 2h;	94%
Stage #1: 2-methyl-8-aminoquinoline; p-acetylaminobenzenesulfonyl chloride With sodium carbonate In methanol at 25 - 35℃; for 4h; Stage #2: With hydrogenchloride; water In methanol Heating / reflux; Stage #3: With sodium hydroxide; water at 50℃; for 1h; pH=12.0;	77%

: 1459-48-9
4-(tricyclo[3.3.1.13,7]dec-1-yl)aniline

: 121-60-8
p-acetylaminobenzenesulfonyl chloride

: N-(4-(N-(4-(adamantan-1-yl)phenyl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 3h;	94%

N-Acetylsulfanilyl chloride Consensus Reports

Reported in EPA TSCA Inventory.

N-Acetylsulfanilyl chloride Specification

N-Acetylsulfanilyl chloride(CAS NO.121-60-8), its Synonyms are 4-(Acetylamino)benzenesulfonyl chloride; 4-Acetamidobenzenesulfonyl chloride; 4-Acetamidophenylsulfonyl chloride; 4-Chlorosulfonylacetanilide; Acetanilide-p-sulfonyl chloride; Acetylsulfanilyl chloride; Benzenesulfonic acid, 4-acetamido-, chloride; Benzenesulfonyl chloride, 4-(acetylamino)-; Dagenan chloride; Sulfanilyl chloride, N-acetyl- (6CI,7CI,8CI); p-(Chlorosulfonyl)acetanilide; p-Acetamidobenzenesulfonyl chloride. It is off-white to slightly grey granular cryst powder. With the Molecular Formula of C₈H₈ClNO₃S, N-Acetylsulfanilyl chloride is used to prepare sulfa drugs, such as sulfadimethoxine and sulfamethoxazole. And we should keep it in well-closed container and avoid heat, light and moisture.

Physical properties about N-Acetylsulfanilyl chloride are: (1)ACD/LogP: 0.872; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.71 ; (5)ACD/BCF (pH 7.4): 2.71; (6)ACD/KOC (pH 5.5): 71.05; (7)ACD/KOC (pH 7.4): 71.05; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 53.423 cm³; (13)Molar Volume: 159.172 cm³; (14)Polarizability: 21.179 10-24cm³; (15)Surface Tension: 55.2529983520508 dyne/cm; (16)Density: 1.468 g/cm³; (17)Flash Point: 211.923 °C; (18)Enthalpy of Vaporization: 68.167 kJ/mol; (19)Boiling Point: 426.803 °C at 760 mmHg

When you are using N-Acetylsulfanilyl chloride, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11);
(2)InChIKey=GRDXCFKBQWDAJH-UHFFFAOYSA-N;
(3)Smilesc1(ccc(NC(C)=O)cc1)S(=O)(=O)Cl;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1600mg/kg (1600mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0533583,
mouse	LDLo	intraperitoneal	50mg/kg (50mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE WEAKNESS	National Technical Information Service. Vol. OTS0533583,
rat	LD50	intraperitoneal	25mg/kg (25mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0533583,
rat	LD50	oral	> 3200mg/kg (3200mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0533583,

Product Name

N-Acetylsulfanilyl chloride

Synthetic route

N-Acetylsulfanilyl chloride Consensus Reports

N-Acetylsulfanilyl chloride Specification

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