CAS No.86604-79-7,4-NITRO-2,3,5-TRIMETHYLPYRIDINE-N-OXIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86604-79-7
Name:	4-NITRO-2,3,5-TRIMETHYLPYRIDINE-N-OXIDE
Article Data:	19

Formula:	C₈H₁₀N₂O₃
Molecular Weight:	182.179
Synonyms:	4-Nitro-2,3,5-trimethylpyridine-N-oxide;
Density:	1.26 g/cm³
Melting Point:	73-74 °C
Boiling Point:	397.8 °C at 760 mmHg
Flash Point:	194.4 °C
PSA:	71.28000
LogP:	2.47170

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Specification

The 4-Nitro-2,3,5-trimethylpiridine-n-oxide, with CAS registry number 86604-79-7, has the systematic name of 2,3,5-trimethyl-4-nitropyridine 1-oxide. Its molecular weight is 182.18. And the chemical formula of this chemical is C₈H₁₀N₂O₃.

Physical properties of 4-Nitro-2,3,5-trimethylpiridine-n-oxide: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.51; (6)ACD/BCF (pH 7.4): 2.51; (7)ACD/KOC (pH 5.5): 67.28; (8)ACD/KOC (pH 7.4): 67.28; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.93 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 46.77 cm³; (15)Molar Volume: 143.6 cm³; (16)Polarizability: 18.54×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 194.4 °C; (20)Enthalpy of Vaporization: 62.3 kJ/mol; (21)Boiling Point: 397.8 °C at 760 mmHg; (22)Vapour Pressure: 3.54E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(c[n+]([O-])c(c1C)C)C
(2)InChI: InChI=1/C8H10N2O3/c1-5-4-9(11)7(3)6(2)8(5)10(12)13/h4H,1-3H3
(3)InChIKey: YMBLTOGTYNFTRX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H10N2O3/c1-5-4-9(11)7(3)6(2)8(5)10(12)13/h4H,1-3H3
(5)Std. InChIKey: YMBLTOGTYNFTRX-UHFFFAOYSA-N