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2',4'-Dimethylacetoacetanilide Structure

2',4'-Dimethylacetoacetanilide

  • Product Name2',4'-Dimethylacetoacetanilide
  • CAS97-36-9
  • CBNumberCB5225701
  • MFC12H15NO2
  • MW205.25
  • EINECS202-576-0
  • MDL NumberMFCD00039836
  • MOL File97-36-9.mol

Chemical Properties

Melting point: 88-91 °C(lit.)
Boiling point: 343.93°C (rough estimate)
Density  1.24
vapor pressure  0-0.006Pa at 20-50℃
refractive index  1.5160 (estimate)
Flash point: 171 °C
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 11.33±0.46(Predicted)
color  White to Off-White
InChI InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKey HGVIAKXYAZRSEG-UHFFFAOYSA-N
SMILES C(NC1=CC=C(C)C=C1C)(=O)CC(=O)C
LogP 1.4 at 20℃ and pH6.5-7.5
CAS DataBase Reference 97-36-9(CAS DataBase Reference)
EPA Substance Registry System Butanamide, N-(2,4-dimethylphenyl)-3-oxo- (97-36-9)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xn
Risk Statements  22
Safety Statements  24/25
WGK Germany  1
RTECS  AK4585000
TSCA  TSCA listed
HS Code  2924299090
Toxicity LD50 orl-rat: 3000 mg/kg LONZA# 13JUL81
REACH Registrations Active

2',4'-Dimethylacetoacetanilide Chemical Properties,Usage,Production

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