1-(4-Pyridazinyl)ethanone supplier

Name
Ethanone, 1-(4-pyridazinyl)- (9CI)
EINECS
CAS No. 50901-46-7
Density 1.137 g/cm³
Solubility
Melting Point 69-70℃
Formula C₆H₆N₂O
Boiling Point 285.872 °C at 760 mmHg
Molecular Weight 122.126
Flash Point 131.02 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Acetylpyridazine;Methyl 4-pyridazinyl ketone;
PSA 42.85000
LogP 0.67920

1-(4-Pyridazinyl)ethanone Specification

The 1-(4-Pyridazinyl)ethanone, with the CAS registry number 50901-46-7, is also known as Methyl 4-pyridazinyl ketone. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₆H₆N₂O and molecular weight is 122.12. What's more, its systematic name is 1-(4-Pyridazinyl)ethanone.

Physical properties of 1-(4-Pyridazinyl)ethanone are: (1)ACD/LogP: -0.813; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.60; (8)ACD/KOC (pH 7.4): 8.60; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 32.463 cm³; (15)Molar Volume: 107.411 cm³; (16)Polarizability: 12.869×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 131.02 °C; (20)Enthalpy of Vaporization: 52.495 kJ/mol; (21)Boiling Point: 285.872 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cnncc1
(2)Std. InChI: InChI=1S/C6H6N2O/c1-5(9)6-2-3-7-8-4-6/h2-4H,1H3
(3)Std. InChIKey: IWFYWGOLMZIBQB-UHFFFAOYSA-N

Product Name

Ethanone, 1-(4-pyridazinyl)- (9CI)

1-(4-Pyridazinyl)ethanone Specification

Related Products

Hot Products