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CAS No.: | 168167-49-5 |
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Name: | 2-HYDROXYMETHYL-3-METHYL-4-NITROPYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8N2O3 |
Molecular Weight: | 168.152 |
Synonyms: | 2-(Hydroxymethyl)-3-methyl-4-nitropyridine; |
Density: | 1.35 g/cm3 |
Melting Point: | 56-58 °C |
Boiling Point: | 344.446 °C at 760 mmHg |
Flash Point: | 162.115 °C |
Hazard Symbols: | Xi |
PSA: | 78.94000 |
LogP: | 1.31370 |
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The 2-Pyridinemethanol,3-methyl-4-nitro-, with CAS registry number 168167-49-5, belongs to the following product categories: (1)Hydroxymethyl's; (2)Pyridines. It has the systematic name of (3-methyl-4-nitropyridin-2-yl)methanol. And the chemical formula of this chemical is C7H8N2O3.
Physical properties of 2-Pyridinemethanol,3-methyl-4-nitro-: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 78.94 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 42.166 cm3; (13)Molar Volume: 124.59 cm3; (14)Polarizability: 16.716×10-24cm3; (15)Surface Tension: 60.93 dyne/cm; (16)Density: 1.35 g/cm3; (17)Flash Point: 162.115 °C; (18)Enthalpy of Vaporization: 62.099 kJ/mol; (19)Boiling Point: 344.446 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccnc(c1C)CO
(2)InChI: InChI=1/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
(3)InChIKey: YFYLOUJBRSOJSQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
(5)Std. InChIKey: YFYLOUJBRSOJSQ-UHFFFAOYSA-N