3551-78-8

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3551-78-8 Structure

Identification	Back Directory
[Name] Nsc97802
[CAS] 3551-78-8
[Synonyms] NSC 314 Nsc97802 NSC 117519 N,N'-DIBENZYLOXAMIDE N,N'-dibenzylethanediamide EthanediaMide, N,N'-bis(phenylMethyl)- Ethanediamide,N1,N2-bis(phenylmethyl)-
[Molecular Formula] C16H16N2O2
[MDL Number] MFCD00022012
[MOL File] 3551-78-8.mol
[Molecular Weight] 268.31

Chemical Properties	Back Directory
[Melting point ] 221-223 °C
[density ] 1.177±0.06 g/cm3(Predicted)
[storage temp. ] Store at room temperature
[form ] powder
[pka] 11.87±0.46(Predicted)
[Appearance] White to off-white Solid
[InChI] InChI=1S/C16H16N2O2/c19-15(17-11-13-7-3-1-4-8-13)16(20)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
[InChIKey] AOIKOYRULAZZLJ-UHFFFAOYSA-N
[SMILES] C(NCC1=CC=CC=C1)(=O)C(NCC1=CC=CC=C1)=O

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P264-P270-P301+P312-P330-P501
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Uses] DBO is a ligand for the copper-catalyzed couplings of heteroanilines with (hetero)aryl halides.
[Synthesis Reference(s)] Journal of the American Chemical Society, 75, p. 4060, 1953 DOI: 10.1021/ja01112a055 Tetrahedron Letters, 26, p. 1079, 1985 DOI: 10.1016/S0040-4039(00)98517-4

Spectrum Detail	Back Directory
[Spectrum Detail] Nsc97802(3551-78-8)¹HNMR

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