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822-89-9

Basic Information
CAS No.: 822-89-9
Name: OXY-PYRION? 1-HYDROXY-2(1H)-PYRIDINONE SPECIALITY CHEMICALS
Article Data: 12
Molecular Structure:
Molecular Structure of 822-89-9 (OXY-PYRION? 1-HYDROXY-2(1H)-PYRIDINONE SPECIALITY CHEMICALS)
Formula: C5H5NO2
Molecular Weight: 111.1
Synonyms: 2(1H)-Pyridone,1-hydroxy- (6CI,7CI,8CI);1-Hydroxy-2(1H)-pyridinone;1-Hydroxy-2(1H)-pyridone;1-Hydroxy-2-pyridinone;1-Hydroxy-2-pyridone;N-Hydroxy-2-pyridone;
EINECS: 212-506-0
Density: 1.431 g/cm3
Melting Point: 149-150 °C
Boiling Point: 252.3 °C at 760 mmHg
Flash Point: 106.4 °C
PSA: 42.23000
LogP: 0.08560
Synthetic route
67-56-1

methanol

220196-57-6

1-(9-anthryl)methyloxy-2-pyridone

A

142-08-5

2-Pyridone

B

822-89-9

1-Hydroxy-2-pyridon

C

2584-79-4

9-(methoxymethyl)anthracene

Conditions
ConditionsYield
In methanol Ambient temperature; Irradiation;A n/a
B n/a
C 30%
67-56-1

methanol

220196-58-7

1-(pyren-1-ylmethyloxy)-2-pyridone

A

142-08-5

2-Pyridone

B

822-89-9

1-Hydroxy-2-pyridon

C

91385-15-8

methyl 1-pyrenylmethyl ether

Conditions
ConditionsYield
Ambient temperature; Irradiation;A 19.4%
B 5%
C 4.1%
220196-58-7

1-(pyren-1-ylmethyloxy)-2-pyridone

A

142-08-5

2-Pyridone

B

822-89-9

1-Hydroxy-2-pyridon

C

3029-19-4

pyrene-1-aldehyde

D

24463-15-8

1-pyrenemethanol

Conditions
ConditionsYield
In methanol Ambient temperature; Irradiation;A 19.4%
B 5%
C 17.3%
D 3%
220196-58-7

1-(pyren-1-ylmethyloxy)-2-pyridone

A

142-08-5

2-Pyridone

B

822-89-9

1-Hydroxy-2-pyridon

C

3029-19-4

pyrene-1-aldehyde

D

91385-15-8

methyl 1-pyrenylmethyl ether

Conditions
ConditionsYield
In methanol Ambient temperature; Irradiation;A 19.4%
B 5%
C 4.1%
D 17.3%
220196-58-7

1-(pyren-1-ylmethyloxy)-2-pyridone

A

142-08-5

2-Pyridone

B

822-89-9

1-Hydroxy-2-pyridon

C

24463-15-8

1-pyrenemethanol

D

91385-15-8

methyl 1-pyrenylmethyl ether

Conditions
ConditionsYield
In methanol Ambient temperature; Irradiation;A 19.4%
B 5%
C 3%
D 17.3%
142-08-5

2-Pyridone

822-89-9

1-Hydroxy-2-pyridon

Conditions
ConditionsYield
With Perbenzoic acid; chloroform
3445-09-8

2-ethoxylpyridine N-oxide

822-89-9

1-Hydroxy-2-pyridon

Conditions
ConditionsYield
With hydrogenchloride; water
5280-02-4

1-(benzyloxy)pyridin-2(1H)-one

822-89-9

1-Hydroxy-2-pyridon

Conditions
ConditionsYield
With palladium on activated charcoal; ethanol Hydrogenation;
2683-67-2

2-benzyloxypyridine 1-oxide

822-89-9

1-Hydroxy-2-pyridon

Conditions
ConditionsYield
With palladium on activated charcoal; ethanol Hydrogenation;
With hydrogenchloride; water
220196-57-6

1-(9-anthryl)methyloxy-2-pyridone

A

142-08-5

2-Pyridone

B

822-89-9

1-Hydroxy-2-pyridon

C

1468-95-7

9-hydroxymethylanthracene

D

642-31-9

9-anthracene aldehyde

Conditions
ConditionsYield
In methanol Ambient temperature; Irradiation;
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Specification

The 2(1H)-Pyridinone,1-hydroxy-, with the CAS registry number 822-89-9, is also known as 1-Hydroxy-1H-pyridin-2-one. It belongs to the product category of Heterocycles. Its EINECS registry number is 212-506-0. This chemical's molecular formula is C5H5NO2 and molecular weight is 111.0987. What's more, its IUPAC name is called 1-Hydroxypyridin-2-one.

Physical properties about 2(1H)-Pyridinone,1-hydroxy- are: (1) ACD/LogP: -0.65; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.77; (4) ACD/LogD (pH 7.4): -2.07; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 7.97; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 29.54 Å2; (13) Index of Refraction: 1.628; (14) Molar Refractivity: 27.55 cm3; (15) Molar Volume: 77.5 cm3; (16) Surface Tension: 69.8 dyne/cm; (17) Density: 1.431 g/cm3; (18) Flash Point: 106.4 °C; (19) Enthalpy of Vaporization: 56.89 kJ/mol; (20) Boiling Point: 252.3 °C at 760 mmHg; (21) Vapour Pressure: 0.00304 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C\C=C/N1O
(2) InChI: InChI=1/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,8H
(3) InChIKey: SNUSZUYTMHKCPM-UHFFFAOYAA