Acetoacetanilide

Acetoacetanilide Basic information
Product Name:Acetoacetanilide
Synonyms:Acetoacetanilide;Acetoacetic amilide;Acetoacetylaniline;α-Acetylacetanilide;β-Ketobutyranilide;3-Oxo-N-phenylbutanamide;Acetoacetic amilide;Butanamide, 3-oxo-N-phenyl-;à-acetylacetanilide;ACETOACETANILIDE 98+%;AcetoacetanilideForSynthesis;Naringenin 7b-neohesperidoside;Acetoacetanilide,99%
CAS:102-01-2
MF:C10H11NO2
MW:177.2
EINECS:202-996-4
Product Categories:Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Intermediates of Dyes and Pigments;Amides;Carbonyl Compounds;Organic Building Blocks;A-B;Alphabetical Listings;Flavors and Fragrances;Aromatic amine products
Mol File:102-01-2.mol
Acetoacetanilide Structure
Acetoacetanilide Chemical Properties
Melting point 83-88 °C (lit.)
Boiling point 129°C 24mm
density 1.26
vapor density 6.1 (vs air)
vapor pressure 0-0.013Pa at 20-50℃
refractive index 1.5168 (estimate)
Fp 325 °F
storage temp. Refrigerator
solubility Chloroform (Slightly), Methanol (Slightly)
pka12.21±0.46(Predicted)
form Crystalline Powder
color White
Water Solubility 5 g/L (20 ºC)
Merck 14,58
BRN 473419
Stability:Stable. Combustible. Incompatible with strong oxidizing agents.
LogP0.93 at 23℃
CAS DataBase Reference102-01-2(CAS DataBase Reference)
NIST Chemistry ReferenceButanamide, 3-oxo-N-phenyl-(102-01-2)
EPA Substance Registry SystemAcetoacetanilide (102-01-2)
Safety Information
Hazard Codes Xn
Risk Statements 21/22
Safety Statements 36
RTECS AK4200000
Autoignition Temperature843 °F
HS Code 2921419000
Hazardous Substances Data102-01-2(Hazardous Substances Data)
ToxicityLD50 orl-rat: 5400 mg/kg LONZA# 08FEB79
MSDS Information
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Acetoacetanilide Usage And Synthesis
Chemical PropertiesWhite to off-white powder
UsesAcetoacetanilide is used as intermediate for the manufacture of organic pigments and dyestuffs.
UsesAcetoacetanilide may be used to synthesize:
  • azo pigments
  • acetoacetanilido-4-aminoantipyrine (Schiff base)
  • 6-aryl-2-methyl-4-oxo-N,N′-diphenyl-2-cyclohexene-1,3-dicarboxamides
  • photoluminescent lanthanide complexes
UsesAcetoacetanilide (AAA) flakes is used as an intermediate for the manufacture of organic pigments and dyestuffs. For further information consult the Product information sheet. Product Data Sheet
Synthesis Reference(s)The Journal of Organic Chemistry, 56, p. 1713, 1991 DOI: 10.1021/jo00005a013
General DescriptionWhite crystalline solid.
Air & Water ReactionsWater insoluble.
Reactivity ProfileOrganic amides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides with strong reducing agents. Amides are very weak bases (weaker than water). Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Health HazardACUTE/CHRONIC HAZARDS: Acetoacetanilide is a weak allergen. When heated to decomposition it emits toxic fumes.
Fire HazardAcetoacetanilide is combustible.
Safety ProfilePoison by intraperitoneal route. Moderately toxic by ingestion. A weak allergen. See also ACETANILIDE. Combustible when exposed to heat or flame. See ANILINE and CYANIDE for disaster hazard. When heated to decomposition it emits toxic NOx, fumes. To fight fire, use alcohol foam, water mist, CO2, dry chemical.
Purification MethodsCrystallise the anilide from H2O, aqueous EtOH or pet ether (b 60-80o). [Williams & Krynitsky Org Synth Coll Vol III 10 1955.]
N-(5-CHLORO-2-METHYL-PHENYL)-3-OXO-BUTYRAMIDE 4'-Chloroacetoacetanilide 2-BENZOYLACETANILIDE 3'-chloroacetoacetanilide 4'-Methoxyacetoacetanilide 4-(2-CHLORO-ACETYL)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE N-(3-Nitro-Phenyl)-3-Oxo-Butyramide N-(4-BROMO-PHENYL)-3-OXO-BUTYRAMIDE LABOTEST-BB LT00012623 N-Chloro-3',5'-diethoxy-α-(3-chloro-4,6-dimethoxyphenylazo)acetoacetanilide A-NAPHTHYLACETOACETANILIDE 1-(ACETOACETYL)INDOLINE 3'-Chloro-2',4'-dimethoxy-α-(3-chloro-5,6-dimethoxyphenylazo)acetoacetanilide 2',5'-DICHLOROACETOACETANILIDE N-(3-NITROPHENYL)-BETA-OXO-BENZENEPROPANAMIDE 2-CHLORO-3-OXO-N,3-DIPHENYLPROPANAMIDE o-Acetoacetaniside 4'-Chloro-2'-methylacetoacetanilide

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