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Safety Information

559849

Sigma-Aldrich

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
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

mp

94-98 °C (lit.)

SMILES string

Cc1c(C)[n+]([O-])ccc1[N+]([O-])=O

InChI

1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3

InChI key

CFMTVTYBZMKULI-UHFFFAOYSA-N

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Chemistry & Biology Interface.
El-Moselhy TF.
Chemistry and Biology, 3(2), 123-136 (2013)
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)

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