97-36-9

Name 2',4'-Dimethylacetoacetanilide
CAS 97-36-9
EINECS(EC#) 202-576-0
Molecular Formula C12H15NO2
MDL Number MFCD00039836
Molecular Weight 205.25
MOL File 97-36-9.mol
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Chemical Properties

Appearance White to off-white powder
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)
Fp  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
Usage Acetoacet-m-xylidide is used as intermediate for the manufacture of organic pigments.
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 97-36-9(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  AK4585000
TSCA  TSCA listed
REACH Registrations Active
HS Code  29242998
Toxicity
LD50 orl-rat: 3000 mg/kg LONZA# 13JUL81

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