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Cas Database |
| Name |
2(1H)-Pyridinone,1-hydroxy- |
EINECS | 212-506-0 |
| CAS No. | 822-89-9 | Density | 1.431 g/cm3 |
| PSA | 42.23000 | LogP | 0.08560 |
| Solubility | N/A | Melting Point |
149-150 °C |
| Formula | C5H5NO2 | Boiling Point | 252.3 °C at 760 mmHg |
| Molecular Weight | 111.1 | Flash Point | 106.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 12 |
2(1H)-Pyridinone,1-hydroxy- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In methanol Ambient temperature; Irradiation; | A 19.4% B 5% C 3% D 17.3% |
| Conditions | Yield |
|---|---|
| With Perbenzoic acid; chloroform |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water |
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; ethanol Hydrogenation; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In methanol Ambient temperature; Irradiation; |
2(1H)-Pyridinone,1-hydroxy- 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
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