3,5-Dimethyl-4-nitropyridine 1-oxide supplier

Name
3,5-Dimethyl-4-nitropyridine 1-oxide
EINECS 227-329-4
CAS No. 14248-66-9
Article Data11
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 174-175 °C
Formula C₇H₈N₂O₃
Boiling Point 377.226 °C at 760 mmHg
Molecular Weight 168.152
Flash Point 181.94 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Lutidine,4-nitro-, 1-oxide (6CI,8CI);3,5-Dimethyl-4-nitropyridine 1-oxide;3,5-Dimethyl-4-nitropyridine N-oxide;4-Nitro-3,5-dimethylpyridine 1-oxide;NSC63056;
PSA 71.28000
LogP 2.16330

3,5-Dimethyl-4-nitropyridine 1-oxide Specification

The 3,5-Dimethyl-4-nitropyridine 1-oxide is an organic compound with the formula C₇H₈N₂O₃. The IUPAC name of this chemical is 3,5-dimethyl-4-nitro-1-oxidopyridin-1-ium. With the CAS registry number 14248-66-9, it is also named as 3,5-Lutidine, 4-nitro-, 1-oxide (8CI). The classification code is Mutation data. When heated to decomposition it emits acrid smoke and irritating fumes.

The other characteristics of 3,5-Dimethyl-4-nitropyridine 1-oxide can be summarized as: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 37.81; (8)ACD/KOC (pH 7.4): 37.81; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 42.35 cm³; (14)Molar Volume: 128.3 cm³; (15)Polarizability: 16.78×10^-24 cm³; (16)Surface Tension: 49.2 dyne/cm; (17)Enthalpy of Vaporization: 60.05 kJ/mol; (18)Vapour Pressure: 1.49E-05 mmHg at 25°C; (19)Exact Mass: 168.053492; (20)MonoIsotopic Mass: 168.053492; (21)Topological Polar Surface Area: 71.3; (22)Heavy Atom Count: 12; (23)Complexity: 168.

People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1c(c[n+]([O-])cc1C)C
2. InChI:InChI=1/C7H8N2O3/c1-5-3-8(10)4-6(2)7(5)9(11)12/h3-4H,1-2H3
3. InChIKey:VLKVMXPKEDVNBO-UHFFFAOYAK
4. Std. InChI:InChI=1S/C7H8N2O3/c1-5-3-8(10)4-6(2)7(5)9(11)12/h3-4H,1-2H3
5. Std. InChIKey:VLKVMXPKEDVNBO-UHFFFAOYSA-N

Product Name

3,5-Dimethyl-4-nitropyridine 1-oxide

3,5-Dimethyl-4-nitropyridine 1-oxide Specification

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