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16994-13-1

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16994-13-1 Structure

16994-13-1 Structure

Identification	Back Directory
[Name] 1-(5-AMino-2-nitro-phenyl)-ethanone
[CAS] 16994-13-1
[Synonyms] 3-amino-6-nitroacetophenone 1-(5-AMino-2-nitro-phenyl)-ethanone Ethanone, 1-(5-amino-2-nitrophenyl)-
[Molecular Formula] C8H8N2O3
[MDL Number] MFCD00034015
[MOL File] 16994-13-1.mol
[Molecular Weight] 180.16

Chemical Properties	Back Directory
[Melting point ] 148-149 °C
[Boiling point ] 401.6±25.0 °C(Predicted)
[density ] 1.333±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C, protect from light
[pka] -0.18±0.10(Predicted)
[Appearance] Light yellow to yellow Solid
[InChI] InChI=1S/C8H8N2O3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,9H2,1H3
[InChIKey] OZXKGJXFDISTBG-UHFFFAOYSA-N
[SMILES] C(=O)(C1=CC(N)=CC=C1[N+]([O-])=O)C

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Spectrum Detail	Back Directory
[Spectrum Detail] 1-(5-AMino-2-nitro-phenyl)-ethanone(16994-13-1)MS 1-(5-AMino-2-nitro-phenyl)-ethanone(16994-13-1)¹HNMR 1-(5-AMino-2-nitro-phenyl)-ethanone(16994-13-1)IR1 1-(5-AMino-2-nitro-phenyl)-ethanone(16994-13-1)IR2

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