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51132-00-4

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51132-00-4 Structure

51132-00-4 Structure

Identification	Back Directory
[Name] 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione
[CAS] 51132-00-4
[Synonyms] 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione 1H-Isoindole-1,3(2H)-dione, 2-(4-bromo-3-oxobutyl)- 2-(4-Bromo-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
[Molecular Formula] C12H10BrNO3
[MDL Number] MFCD04124730
[MOL File] 51132-00-4.mol
[Molecular Weight] 296.12

Chemical Properties	Back Directory
[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
[form ] solid
[pka] -2.29±0.20(Predicted)
[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

Safety Data	Back Directory
[Symbol(GHS) ] GHS07,GHS09
[Signal word ] Warning
[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

Spectrum Detail	Back Directory
[Spectrum Detail] 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione(51132-00-4)¹HNMR

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