559849
4-Nitro-2,3-lutidine N-oxide
97%
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About This Item
Empirical Formula (Hill Notation):
C7H8N2O3
CAS Number:
Molecular Weight:
168.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3
SMILES string
Cc1c(C)[n+]([O-])ccc1[N+]([O-])=O
InChI key
CFMTVTYBZMKULI-UHFFFAOYSA-N
assay
97%
mp
94-98 °C (lit.)
General description
4-Nitro-2,3-lutidine N-oxide can undergo reduction in the presence of Titanium(III) chloride in 50% aqueous acetonitrile. N-hydroxylamine is formed as a by-product during the reduction reaction.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Applications of TiCl3 as a Diagnostic Reagent for the Detection of Nitro-and N-Oxide-Containing Compounds as Potentially Mutagenic Impurities Using Ultrahigh-Performance Liquid Chromatography Coupled with High-Resolution Mass Spectrometry.
Yang RS, et al.
Organic Process Research & Development, 20(1), 59-64 (2015)
Chemistry & Biology Interface.
El-Moselhy TF.
Chemistry and Biology, 3(2), 123-136 (2013)
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