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3551-78-8

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3551-78-8 Structure

3551-78-8 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 InformationBack 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 DetailBack Directory
[Spectrum Detail]

Nsc97802(3551-78-8)1HNMR
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