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2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro-

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Name

2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro-

EINECS -0
CAS No. 4966-90-9 Density 1.53 g/cm3
PSA 98.91000 LogP 0.82030
Solubility N/A Melting Point 293-296 °C(lit.)
Formula C6H6N2O4 Boiling Point 265.6 °C at 760 mmHg
Molecular Weight 170.125 Flash Point 114.4 °C
Transport Information N/A Appearance Yellow powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4966-90-9 (4-HYDROXY-6-METHYL-3-NITRO-2-PYRIDONE) Hazard Symbols IrritantXi
Synonyms

2,4-Pyridinediol,6-methyl-3-nitro- (7CI,8CI);3-Nitro-6-methylpyridine-2,4-diol;4-Hydroxy-6-methyl-3-nitro-2(1H)-pyridinone;4-Hydroxy-6-methyl-3-nitro-2-pyridone;6-Methyl-3-nitropyridine-2,4-diol;

Article Data 5

2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro- Specification

The 2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro-, with the CAS registry number 4966-90-9, has the systematic name of 2-hydroxy-6-methyl-3-nitropyridin-4(1H)-one. It is a kind of yellow powder, and belongs to the following product categories: Miscellaneous Compounds; Nitro Compounds; Phenols; Building Blocks; Heterocyclic Building Blocks; Piperidones. And the molecular formula of the chemical is C6H6N2O4.

The characteristics of 2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro- are as followings: (1)ACD/LogP: -1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.19; (4)ACD/LogD (pH 7.4): -4.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 38.25 cm3; (15)Molar Volume: 110.5 cm3; (16)Polarizability: 15.16×10-24cm3; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 114.4 °C; (20)Enthalpy of Vaporization: 58.47 kJ/mol; (21)Boiling Point: 265.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00125 mmHg at 25°C.

Preparation of 2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro-: This chemical can be prepared by 4-hydroxy-6-methyl-1H-pyridin-2-one. The reaction will need reagent conc. HNO3 and NaNO2, and the menstruum acetic acid. The reaction time is 0.5 hours with temperature of 20°C, and the yield is about 72%. 

Uses of 2(1H)-Pyridinone,4-hydroxy-6-methyl-3-nitro-: It can be used to produce 2,4-dichloro-6-methyl-3-nitro-pyridine. This reaction will need reagent POCl3 and diethylaniline. The reaction time is 3 hours with heating. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])C=1C(=O)\C=C(/NC=1O)C
(2)InChI: InChI=1/C6H6N2O4/c1-3-2-4(9)5(8(11)12)6(10)7-3/h2H,1H3,(H2,7,9,10)
(3)InChIKey: QIKWTNPFTOEELW-UHFFFAOYAN

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