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4'-CHLOROACETANILIDE

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Products Intro: Product Name:4'-CHLOROACETANILIDE
CAS:539-03-7
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CAS:539-03-7
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CAS:539-03-7
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Products Intro: Product Name:Paracetamol EP Impurity J
CAS:539-03-7
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4'-CHLOROACETANILIDE Basic information
Product Name:4'-CHLOROACETANILIDE
Synonyms:ACETIC ACID 4-CHLOROANILIDE;ACETAMINOPHEN IMPURITY J;ACETAMINOPHENE IMP J;4'-CHLOROACETANILIDE;4-CHLOROACETANILIDE;4-CHLORACETANILIDE;LABOTEST-BB LT00792311;P-CHLOROACETANILIDE
CAS:539-03-7
MF:C8H8ClNO
MW:169.61
EINECS:208-707-8
Product Categories:Amines;Aromatics;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Anilines, Amides & Amines;Chlorine Compounds
Mol File:539-03-7.mol
4'-CHLOROACETANILIDE Structure
4'-CHLOROACETANILIDE Chemical Properties
Melting point 176-178 °C(lit.)
Boiling point 333 °C
density 1,385 g/cm3
refractive index 1.5670 (estimate)
Fp 333°C
storage temp. 2-8°C
solubility dioxane: 50 mg/mL hot, clear
pka14.25±0.70(Predicted)
form Crystalline Powder
color White or grayish-beige
Water Solubility Insoluble in water.
Merck 14,2111
BRN 509638
InChI1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKeyGGUOCFNAWIODMF-UHFFFAOYSA-N
SMILESCC(=O)Nc1ccc(Cl)cc1
CAS DataBase Reference539-03-7(CAS DataBase Reference)
EPA Substance Registry System4-Chloroacetanilide (539-03-7)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
RTECS AE1001000
TSCA TSCA listed
HS Code 29242990
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data539-03-7(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
4'-CHLOROACETANILIDE Usage And Synthesis
Chemical Propertieswhite or greyish-beige crystalline powder
Uses4'-Chloroacetanilide is used in pharmaceutical preparations, using PGC column. And also used in the synthesis of alprazolam.
DefinitionChEBI: Acetamide substituted on nitrogen by a para-chlorophenyl group.
Synthesis Reference(s)Tetrahedron, 52, p. 8863, 1996 DOI: 10.1016/0040-4020(96)00433-4
General Description4′-Chloroacetanilide is the main impurity present in acetaminophen and has been quantitated by new high-performance liquid chromatography method using a mixed-mode reversed-phase/cation exchange stationary phase.
SynthesisPreparation of p-chloroacetanilide: 113.5 mg (0.5 mmol) of 4-chlorophenyl diazonium tetrafluoroborate, 0.1 mmol of cuprous iodide, 0.5 mmol of potassium phosphate with 1.0 mmol of water were added to a Schlenk tube under nitrogen and 1 mL of acetonitrile was added under air and the reaction was stirred for 12 hr at 80oC, the yield of the reaction was 68%.
Purification MethodsCrystallise the anilide from EtOH or aqueous EtOH. [Beilstein 12 IV 1178.]
Tag:4'-CHLOROACETANILIDE(539-03-7) Related Product Information
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