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5930-94-9

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5930-94-9 Structure

5930-94-9 Structure

Identification	Back Directory
[Name] 3-NITROPYRROLE
[CAS] 5930-94-9
[Synonyms] Nitropyrrole 3-NITROPYRROLE 3-Nitropyrrole> 3-NITRO-1H-PYRROLE 3-NITROPYRROLE 98+% 1H-Pyrrole, 3-nitro- 1H-Pyrrole,3-nitro-(9CI) 3-Nitropyrrole, 98.0%(GC) 3-nitro-5-(2-pyridinylthio)aniline
[Molecular Formula] C4H4N2O2
[MDL Number] MFCD00059714
[MOL File] 5930-94-9.mol
[Molecular Weight] 112.09

Chemical Properties	Back Directory
[Melting point ] 100°C
[Boiling point ] 267.9±13.0 °C(Predicted)
[density ] 1.408±0.06 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[solubility ] soluble in Methanol
[form ] powder to crystal
[pka] 13.96±0.50(Predicted)
[color ] White to Gray to Brown
[InChI] InChI=1S/C4H4N2O2/c7-6(8)4-1-2-5-3-4/h1-3,5H
[InChIKey] LOJNBPNACKZWAI-UHFFFAOYSA-N
[SMILES] N1C=CC([N+]([O-])=O)=C1

Safety Data	Back Directory
[Safety Statements ] 22-24/25
[HS Code ] 2933998090

Hazard Information	Back Directory
[Synthesis Reference(s)] Tetrahedron Letters, 24, p. 3455, 1983 DOI: 10.1016/S0040-4039(00)86011-6

Spectrum Detail	Back Directory
[Spectrum Detail] 3-NITROPYRROLE(5930-94-9)MS 3-NITROPYRROLE(5930-94-9)¹HNMR 3-NITROPYRROLE(5930-94-9)¹³CNMR 3-NITROPYRROLE(5930-94-9)IR1 3-NITROPYRROLE(5930-94-9)IR2 3-NITROPYRROLE(5930-94-9)Raman

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