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| CAS No.: | 504-30-3 |
|---|---|
| Name: | 3(2H)-Pyridazinone |
| Molecular Structure: | |
|
|
|
| Formula: | C4H4N2O |
| Molecular Weight: | 96.0886 |
| Synonyms: | 2H-Pyridazin-3-one;3-Hydroxypyridazine;3-Pyridazinol;3-Pyridazinone;6-Pyridazinone;NSC 21411; |
| Density: | 1.28 g/cm3 |
| Melting Point: | 98-104 °C |
| Boiling Point: | 315.9 °C at 760 mmHg |
| Flash Point: | 144.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 45.75000 |
| LogP: | -0.23010 |
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- 178047-61-5
3-Phenyl-7aH-1-oxa-2,3a,4-triaza-indene
- 504-30-3
2H-Pyridazin-3-one
| Conditions | Yield |
|---|---|
| With air In benzene Ambient temperature; Irradiation; | 90% |
- 57697-64-0
mucochloric acid
- 504-30-3
2H-Pyridazin-3-one
| Conditions | Yield |
|---|---|
| Stage #1: mucochloric acid With tert-butylhydrazine In water; toluene at 23℃; for 2.8h; Stage #2: With tetrabutylammomium bromide; titanium(IV) oxide In water; toluene at 20℃; for 4.6h; Temperature; | 88.9% |
- 1173165-19-9
N'-acryloyl-N-allyl-4-methylbenzenesulfonohydrazide
- 504-30-3
2H-Pyridazin-3-one
| Conditions | Yield |
|---|---|
| With Hoveyda-Grubbs catalyst second generation In dichloromethane at 40℃; for 36h; Sealed tube; Inert atmosphere; | 87% |
- 83297-14-7
5-(1,2-diaza-1-t-butylbutadien-4-ylidene)-2,2-dimethyl-1,3-dioxan-4,6-dione
- 504-30-3
2H-Pyridazin-3-one
| Conditions | Yield |
|---|---|
| at 750℃; under 0.01 - 0.1 Torr; for 1.5h; | 63% |
- 19064-67-6
6-chloro-2H-pyridazin-3-one
- 504-30-3
2H-Pyridazin-3-one
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen; potassium carbonate In ethyl acetate under 1551.49 Torr; for 3h; | 55% |
- 110-89-4
piperidine
- 60-29-7
diethyl ether
- 106-89-8
epichlorohydrin
- 56872-17-4
6-(3-allyl-4-hydroxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one
A
- 504-30-3
2H-Pyridazin-3-one
B
- 56872-18-5
6-(3-allyl-4-oxiranylmethoxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dichloromethane | A 47% B n/a |
| Conditions | Yield |
|---|---|
| In benzene for 3h; Heating; | A 3% B 29% |
| Conditions | Yield |
|---|---|
| With benzonitrile oxide In benzene for 3h; Heating; | A 3% B 29% |
- 61468-81-3
3-oxo-2,3,4,5-tetrahydropyridazine
- 504-30-3
2H-Pyridazin-3-one
| Conditions | Yield |
|---|---|
| With chloroform; bromine |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; palladium on activated charcoal Hydrogenation; |
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Chemistry
The molecular structure of 3(2H)-Pyridazinone (CAS NO.504-30-3):
IUPAC Name: 1H-Pyridazin-6-one
Molecular Weight: 96.08736 g/mol
Molecular Formula: C4H4N2O
Density: 1.28 g/cm3
Melting Point: 98-104 °C
Boiling Point: 315.9 °C at 760 mmHg
Flash Point: 144.9 °C
Index of Refraction: 1.595
Molar Refractivity: 25.38 cm3
Molar Volume: 74.6 cm3
Surface Tension: 50.7 dyne/cm
Enthalpy of Vaporization: 57.94 kJ/mol
Vapour Pressure: 0.000228 mmHg at 25 °C
XLogP3-AA: -0.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Tautomer Count: 2
Exact Mass: 96.032363
MonoIsotopic Mass: 96.032363
Topological Polar Surface Area: 41.5
Heavy Atom Count: 7
Canonical SMILES: C1=CC(=O)NN=C1
InChI: InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
InChIKey: AAILEWXSEQLMNI-UHFFFAOYSA-N
Product Categories of 3(2H)-Pyridazinone (CAS NO.504-30-3): Building Blocks; Heterocyclic Building Blocks; Pyridazines; Pyridazine series
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
Specification
3(2H)-Pyridazinone (CAS NO.504-30-3) is also named as 3-Hydroxypyridazine ; 3-Pyridazinol ; Pyridazin-3(2H)-one ; Pyridazin-3-ol ; 2H-Pyridazin-3-one ; 3 (2H)-Pyridazinone .