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Ethyl 4-nitrobenzoylacetate Structure

Ethyl 4-nitrobenzoylacetate

Chemical Properties

Melting point 67-71 °C
Boiling point 379.74°C (rough estimate)
Density  1.3350 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka 8.70±0.25(Predicted)
form  powder to crystal
color  White to Light yellow to Light orange
BRN  1124763
InChI InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
InChIKey NGRXSVFCLHVGKU-UHFFFAOYSA-N
SMILES C1(C=CC([N+]([O-])=O)=CC=1)C(=O)CC(=O)OCC
CAS DataBase Reference 838-57-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII E9KY7LH3TA
EPA Substance Registry System Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester (838-57-3)

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25-36/37-26
WGK Germany  2
RTECS  AJ1073500
TSCA  Yes
HazardClass  IRRITANT
HS Code  29183000
NFPA 704:
1
1 0

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