637-53-6

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637-53-6 Structure

Identification	More
[Name] THIOACETANILIDE
[CAS] 637-53-6
[Synonyms] SPECS AQ-012/40221353 THIOACETANILIDE Acetanilide, thio- Ethanethioamide,N-phenyl- n-phenyl-ethanethioamid N-Phenylethanethioamide N-Phenylthioacetamide N-Phenyl-thioacetamide thio-acetanilid USAF ek-1902 usafek-1902 Thilacetanilide Thioacetanilide99% USAF AK-1902
[EINECS(EC#)] 211-288-4
[Molecular Formula] C8H9NS
[MDL Number] MFCD00004942
[Molecular Weight] 151.23
[MOL File] 637-53-6.mol

Chemical Properties	Back Directory
[Appearance] yellow crystalline powder
[Melting point ] 76-79 °C (lit.)
[Boiling point ] 147 °C / 1mmHg
[density ] 1.1041 (rough estimate)
[refractive index ] 1.5700 (estimate)
[storage temp. ] Sealed in dry,Room Temperature
[form ] powder to crystal
[pka] 11.16±0.70(Predicted)
[color ] White to Gray to Brown
[LogP] 1.710
[CAS DataBase Reference] 637-53-6(CAS DataBase Reference)
[EPA Substance Registry System] Thioacetanilide (637-53-6)

Safety Data	Back Directory
[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
[HS Code ] 29309099

Raw materials And Preparation Products	Back Directory
[Raw materials] 1,3,2-Dioxaphosphorinane, 2-(acetylthio)-5,5-dimethyl-, 2-sulfide (9CI)-->Disulfide, bis[1-(phenylimino)ethyl] (9CI)-->diacetanilide-->Acetophenone oxime-->Phenyl isothiocyanate-->Methyllithium-->Thioacetic acid-->Copper(II) acetate-->Aniline-->Acetanilide
[Preparation Products] 2-Methylbenzothiazole-->2-MORPHOLIN-4-YL-1,3-THIAZOL-4(5H)-ONE

Hazard Information	Back Directory
[Chemical Properties] yellow crystalline powder
[Uses] Thioacetanilide (N-Phenylthioacetamide) is a thioderivative of acetanilide that exhibits Z/E isomer preference and solvent dependence[1].
[General Description] Metabolism and acute toxicity of thioacetanilide has been studied in rat. Thioacetanilide undergoes nucleophilic addition reaction with superoxide ion in dimethyl sulfoxide.
[References] [1] Song S, et al. Contribution of Solvents to Geometrical Preference in the Z/E Equilibrium of N-Phenylthioacetamide. J Org Chem. 2022 Feb 4;87(3):1641-1660. DOI:10.1021/acs.joc.1c00801

Spectrum Detail	Back Directory
[Spectrum Detail] THIOACETANILIDE(637-53-6)MS THIOACETANILIDE(637-53-6)¹HNMR THIOACETANILIDE(637-53-6)¹³CNMR THIOACETANILIDE(637-53-6)IR1 THIOACETANILIDE(637-53-6)IR2 THIOACETANILIDE(637-53-6)IR3

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] Thioacetanilide, 99+%(637-53-6)
[Sigma Aldrich] 637-53-6(sigmaaldrich)
[TCI AMERICA] Thioacetanilide,>98.0%(T)(637-53-6)

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