93-68-5

Name 2'-Methylacetoacetanilide
CAS 93-68-5
EINECS(EC#) 202-267-0
Molecular Formula C11H13NO2
MDL Number MFCD00008782
Molecular Weight 191.23
MOL File 93-68-5.mol
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Chemical Properties

Appearance White to off-white powder
Melting point  104-106 °C(lit.)
Boiling point  326.97°C (rough estimate)
density  1.06
vapor pressure  0.01 hPa ( 20 °C)
refractive index  1.5220 (estimate)
Fp  143°C
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 11.22±0.46(Predicted)
color  Crystals
Usage Acetoacet-o-toluidide is used as intermediate for the manufacture of organic pigments as well as for the manufacture of agrochemicals.
BRN  2099098
InChI 1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey TVZIWRMELPWPPR-UHFFFAOYSA-N
SMILES N(c1c(cccc1)C)C(=O)CC(=O)C
LogP 0.9 at 23℃
CAS DataBase Reference 93-68-5(CAS DataBase Reference)
NIST Chemistry Reference Butanamide, n-(2-methylphenyl)-3-oxo-(93-68-5)
EPA Substance Registry System 93-68-5(EPA Substance)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S36:Wear suitable protective clothing .
WGK Germany  1
RTECS  AK6550000
TSCA  Yes
REACH Registrations Active
HS Code  29242990
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx,.
Toxicity
LD50 orl-rat: 1600 mg/kg KODAK* -,N-229,76

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Hazard Information

Material Safety Data Sheet(MSDS)

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