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2'-Methylacetoacetanilide Structure

2'-Methylacetoacetanilide

Chemical Properties

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)
Flash point 143°C
storage temp.  Sealed in dry,Room Temperature
pka 11.22±0.46(Predicted)
form  powder to crystal
color  Crystals
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 Butanamide, N-(2-methylphenyl)-3-oxo- (93-68-5)

Safety Information

Hazard Codes  Xn
Risk Statements  22-20/21/22
Safety Statements  36-36/37-24/25
WGK Germany  1
RTECS  AK6550000
TSCA  TSCA listed
HS Code  29242990
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity LD50 orl-rat: 1600 mg/kg KODAK* -,N-229,76

MSDS

Usage And Synthesis

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