4-Nitro-2,3-lutidine N-oxide - CAS 37699-43-7

Name: 4-Nitro-2,3-lutidine N-oxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023394
Product Name:	4-Nitro-2,3-lutidine N-oxide
CAS:	37699-43-7
Synonyms:	2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
Description:	Nitropyridine oxide derivatives show carcinogenicity and mutagenicity.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-]
InChI:	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
Boiling Point:	403.3 °C at 760 mmHg
Melting Point:	94-98 °C
Flash Point:	197.7°C
Purity:	98.0 % (HPLC)
Density:	1.3 g/cm³
Appearance:	Yellow solid
MDL:	MFCD00065172
LogP:	2.16330
Refractive Index:	1.573

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Related Functional Groups

Pyridines

[76167-49-2]C11H10N2O
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[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1202402-53-6]C9H12BrNO
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111320570-A	Preparation method of lansoprazole key intermediate	20200324
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
CN-104592107-A	Synthesis method of 2,3-dimethyl-4-nitropyridine-N-oxide	20150116
CN-104592107-B	Synthesis method of 2,3-dimethyl-4-nitropyridine-N-oxide	20150116
CN-104744437-A	Rabeprazole preparation method	20131226

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5