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Cas Database |
| Name |
Thioacetanilide |
EINECS | N/A |
| CAS No. | 637-53-6 | Density | 1.16g/cm3 |
| PSA | 44.12000 | LogP | 2.51880 |
| Solubility | N/A | Melting Point |
76-79 °C(lit.) |
| Formula | C8H9 N S | Boiling Point | 147 °C / 1mmHg |
| Molecular Weight | 151.232 | Flash Point | 89.95°C |
| Transport Information | N/A | Appearance | yellow crystalline powder |
| Safety | A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx. | Risk Codes | R20/21 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Acetanilide,thio- (6CI,7CI,8CI); N-Phenylethanethioamide; N-Phenylthioacetamide; NSC 36984;Thioacetanilide |
Article Data | 65 |
Thioacetanilide Synthetic route
| Conditions | Yield |
|---|---|
| In dichloromethane for 3h; Ambient temperature; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| With 2,4-bis(4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)phenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide In tetrahydrofuran at 55℃; for 6h; | 97% |
| With 2,4-{[3-[(CH2)5C8F17]-4-MeO-phenyl]}2-P2S2 2,4-disulfide for 0.05h; microwave irradiation; | 96% |
| With Lawessons reagent for 0.0333333h; microwave irradiation; | 96% |
| Conditions | Yield |
|---|---|
| Stage #1: acetophenone oxime With triethylamine; p-toluenesulfonyl chloride In acetonitrile at 0 - 20℃; Inert atmosphere; Stage #2: With thiourea In acetonitrile for 2h; Reflux; Inert atmosphere; | 90% |
| With tetraphosphorus decasulfide In benzene at 80℃; for 0.5h; Beckmann Rearrangement; | 90% |
| With trichlorothiophosphine; water; triethylamine at 0 - 75℃; Beckmann rearrangement; chemoselective reaction; | 78% |
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; sodium acetate; O,O-Diethyl hydrogen phosphorodithioate In 1,4-dioxane at 80 - 90℃; for 2h; Inert atmosphere; | 89% |
- 62-53-3
aniline
- 157841-92-4
Thioacetic acid S-(5,5-dimethyl-2-thioxo-2λ5-[1,3,2]dioxaphosphinan-2-yl) ester
- 637-53-6
thioacetanilide
| Conditions | Yield |
|---|---|
| Stage #1: Thioacetic acid S-(5,5-dimethyl-2-thioxo-2λ5-[1,3,2]dioxaphosphinan-2-yl) ester With 5,5-dimethyl-2-thiolo-2-thiono-1,3,2-dioxaphosphorinane In benzene for 3h; Heating; Stage #2: aniline With triethylamine In benzene cooling; Further stages.; | 87.8% |
| Conditions | Yield |
|---|---|
| With 1H-imidazole; iodine; chloro-diphenylphosphine In dichloromethane for 0.75h; Reflux; | 85% |
| With 1,2-bis(5-methylisoxazol-3-yl)hydrazine; triphenylphosphine In acetonitrile for 4.5h; Mitsunobu reaction; Reflux; | 83% |
- 110-91-8
morpholine
- 141-84-4
2-thioxo-4-thiazolidinone
- 103-84-4
Acetanilid
A
- 16781-67-2
2-morpholin-4-yl-2-thiazole-4(5H)-one
B
- 637-53-6
thioacetanilide
| Conditions | Yield |
|---|---|
| With MCM-41 mesoporous silica In ethanol; water at 80 - 90℃; for 8h; Green chemistry; | A n/a B 70% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; diethyl ether at -78℃; for 0.5h; | 70% |
| Conditions | Yield |
|---|---|
| In dichloromethane for 120h; Ambient temperature; | A n/a B 59% |
| Conditions | Yield |
|---|---|
| With O,O-Diethyl hydrogen phosphorodithioate In toluene for 8h; Heating; | 51% |
Thioacetanilide Chemical Properties
IUPAC Name: N-Phenylethanethioamide
The MF of Thioacetanilide (CAS NO.637-53-6) is C8H9NS.
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The MW of Thioacetanilide (CAS NO.637-53-6) is 151.23.
Synonyms of Thioacetanilide (CAS NO.637-53-6): Ethanethioamide, N-phenyl- ; N-Phenylethanthioamid ; Acetanilide, thio- ; Thioacetanilide
Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocarbonyl Compounds
Apperance: yellow crystalline powder
Index of Refraction: 1.653
EINECS: 211-288-4
Density: 1.159 g/ml
Flash Point: 90 °C
Boiling Point: 225.1 °C
Melting Point: 76-79 °C
Thioacetanilide Uses
Thioacetanilide (CAS NO.637-53-6) is used as chemical reagents, organic intermediates, fine chemicals, pharmaceutical research and development.
Thioacetanilide Toxicity Data With Reference
| 1. | orl-rat LD50:2635 mg/kg | GISAAA Gigiena i Sanitariya. 51 (2)(1986),72. | ||
| 2. | orl-mus LD50:2625 mg/kg | GISAAA Gigiena i Sanitariya. 51 (2)(1986),72. | ||
| 3. | ipr-mus LD50:300 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Thioacetanilide Consensus Reports
Reported in EPA TSCA Inventory.
Thioacetanilide Safety Profile
A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.Safety information of Thioacetanilide (CAS NO.637-53-6):
Hazard Codes 
Xn
Risk Statements
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements
S36:Wear suitable protective clothing.
WGK Germany 3
RTECS AE7350000
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