103-89-9

Name 4'-Methylacetanilide
CAS 103-89-9
EINECS(EC#) 203-155-4
Molecular Formula C9H11NO
MDL Number MFCD00008677
Molecular Weight 149.19
MOL File 103-89-9.mol
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Chemical Properties

Description
p-Acetotoluidide is an off-white to brown flake, odourless, solid or crystalline powder (pure form), which is soluble in hot water, alcohol, ether, chloroform, acetone, glycerol, and benzene. It is combustible and undergoes self-ignition (at 5450°C) but is otherwise stable under most conditions. p-Acetanilide on decomposition releases carbon monoxide, oxides of nitrogen, carbon dioxide, and toxic fumes. p-Acetanilide is used as an inhibitor of peroxides and stabiliser for cellulose ester varnishes. It is used as an intermediate for the synthesis of rubber accelerators, dyes and dye intermediate, and camphor. It is also used as a precursor in penicillin synthesis and other pharmaceuticals including painkillers and intermediates. Phenylacetamide structure shows analgesic and antipyretic effects. But acetanilide is not used directly for this application due to causing methemoglobinemia (the presence of excessive methemoglobin which does not function reversibly as an oxygen carrier in the blood).
Appearance BEIGE TO LIGHT BROWN CRYSTALS OR CRYST. POWDER
Melting point  149-151 °C(lit.)
Boiling point  307 °C(lit.)
density  1.21
vapor density  5.14
refractive index  1.5279 (estimate)
Fp  168 °C
storage temp.  Store below +30°C.
solubility  1.2g/l (experimental)
form  Crystals or Crystalline Powder
pka 15.13±0.70(Predicted)
color  Beige to light brown
Water Solubility  1 g/L (25 ºC)
Detection Methods GC,HPLC,NMR
Merck  14,74
BRN  607036
InChI 1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey YICAMJWHIUMFDI-UHFFFAOYSA-N
SMILES CC(=O)Nc1ccc(C)cc1
CAS DataBase Reference 103-89-9(CAS DataBase Reference)
NIST Chemistry Reference Acetamide, N-(4-methylphenyl)-(103-89-9)
EPA Substance Registry System 103-89-9(EPA Substance)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
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  AN2930000
TSCA  Yes
HS Code  29242995
storage p-Acetanilide should be kept stored in a cool, dry place with the container closed when not in use
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Precautions During handling and use of p-aetotoluidide, proper personal protective equipment should be worn. Avoid contact with the eyes, skin, and clothing. Avoid ingestion and inhalation. On accidental exposure at the workplace, workers should immediately fl ush the eyes and exposed part of the body with plenty of water. Workers should avoid using the contaminated clothing and shoes.
Safety Profile
Moderately toxic by ingestion. See also ACETANILIDE. Combustible. When heated to decomposition it emits toxic fumes of NO,. To fight fire, use water, foam, CO2, dry chemical
Toxicity
LD50 orl-rat: 2640 mg/kg MarJV# 29MAR77

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