2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione Structure

2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione

Chemical Properties

Melting point 119-120 °C
Boiling point 427.3±25.0 °C(Predicted)
Density  1.614±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
pka -2.29±0.20(Predicted)
form  solid
InChI InChI=1S/C12H10BrNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2
InChIKey PTPZBCHKQSHXQZ-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C(=O)N1CCC(=O)CBr
UNSPSC Code 12352200
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H317-H411
Precautionary statements P273-P280-P302+P352
Hazard Codes  Xn
Risk Statements  43-52
Safety Statements  36/37
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
HS Code  2933998090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Skin Sens. 1

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2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione Spectrum

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