| Identification | More | [Name]
4'-CHLOROACETANILIDE | [CAS]
539-03-7 | [Synonyms]
4-CHLORACETANILIDE
4'-CHLOROACETANILIDE
4-CHLOROACETANILIDE
ACETAMINOPHENE IMP J
ACETAMINOPHEN IMPURITY J
ACETIC ACID 4-CHLOROANILIDE
LABOTEST-BB LT00792311
N-(4-CHLORO-PHENYL)-ACETAMIDE
P-CHLOROACETANILIDE
4’-chloro-acetanilid
4-chlorophenylethanamide
Acetamide,N-(4-chlorophenyl)-
Acetanilide, 4'-chloro-
Acetic-4-chloroanilide
Acet-p-chloroanilide
amide,n(4-chlorophenyl)-aceticaci
ethanamide,4-chlorophenyl-
n-(4-chlorophenyl)-acetamid
N-(p-Chlorophenyl)acetamide
N-Acetyl-4-chloroaniline | [EINECS(EC#)]
208-707-8 | [Molecular Formula]
C8H8ClNO | [MDL Number]
MFCD00000612 | [Molecular Weight]
169.61 | [MOL File]
539-03-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white or greyish-beige crystalline powder | [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
| [form ]
Crystalline Powder | [pka]
14.25±0.70(Predicted) | [color ]
White or grayish-beige | [Water Solubility ]
Insoluble in water. | [Merck ]
14,2111 | [BRN ]
509638 | [InChI]
1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) | [InChIKey]
GGUOCFNAWIODMF-UHFFFAOYSA-N | [SMILES]
CC(=O)Nc1ccc(Cl)cc1 | [CAS DataBase Reference]
539-03-7(CAS DataBase Reference) | [EPA Substance Registry System]
4-Chloroacetanilide (539-03-7) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
AE1001000
| [TSCA ]
Yes | [HS Code ]
29242990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Hazardous Substances Data]
539-03-7(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Chemical Properties]
white or greyish-beige crystalline powder | [Uses]
4'-Chloroacetanilide is used in pharmaceutical preparations, using PGC column. And also used in the synthesis of alprazolam. | [Definition]
ChEBI: 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 Description]
4′-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. | [Synthesis]
Preparation 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 | [Purification Methods]
Crystallise the anilide from EtOH or aqueous EtOH. [Beilstein 12 IV 1178.] |
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