CAS No.4966-90-9,4-HYDROXY-6-METHYL-3-NITRO-2-PYRIDONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4966-90-9
Name:	4-HYDROXY-6-METHYL-3-NITRO-2-PYRIDONE
Article Data:	5

Formula:	C₆H₆N₂O₄
Molecular Weight:	170.125
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;
EINECS:	-0
Density:	1.53 g/cm³
Melting Point:	293-296 °C(lit.)
Boiling Point:	265.6 °C at 760 mmHg
Flash Point:	114.4 °C
Appearance:	Yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	98.91000
LogP:	0.82030

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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