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| CAS No.: | 121-60-8 |
|---|---|
| Name: | N-Acetylsulfanilyl chloride |
| Article Data: | 76 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8ClNO3S |
| Molecular Weight: | 233.675 |
| 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; |
| EINECS: | 204-485-1 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 142-145 ºC |
| Boiling Point: | 426.8 ºC at 760 mmHg |
| Flash Point: | 211.9 ºC |
| Solubility: | Slightly soluble in water |
| Appearance: | off-white to slightly grey granular cryst powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34-37 |
| Safety: | 26-36/37/39-45-28B |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 71.62000 |
| LogP: | 2.72630 |
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| 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% |
| 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; |
| Conditions | Yield |
|---|---|
| at 60℃; for 0.5h; | 85% |
| at 60℃; | |
| In chloroform at 55℃; for 5h; Temperature; Time; |
| 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 | Yield |
|---|---|
| With hydrogenchloride; chlorine |
- 121-60-8
p-acetylaminobenzenesulfonyl chloride
| 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
- 16766-09-9
(4-acetamidophenyl)disulfide
- 7782-50-5
chlorine
- 64-19-7
acetic acid
- 121-60-8
p-acetylaminobenzenesulfonyl chloride
- 875257-66-2
thiocarbamic acid S-(4-acetylamino-phenyl ester)
- 7782-50-5
chlorine
- 121-60-8
p-acetylaminobenzenesulfonyl chloride
| 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 |
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Consensus Reports
Reported in EPA TSCA Inventory.
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, |