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4-Pyridazinecarboxaldehyde

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Name

4-Pyridazinecarboxaldehyde

EINECS N/A
CAS No. 50901-42-3 Density 1.235 g/cm3
PSA 42.85000 LogP 0.28910
Solubility N/A Melting Point 70 °C (sublm)
Formula C5H4N2O Boiling Point 300.361 °C at 760 mmHg
Molecular Weight 108.1 Flash Point 139.901 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 50901-42-3 (Pyridazine-4-carbaldehyde) Hazard Symbols IrritantXi
Synonyms

4-Formylpyridazine;

 

4-Pyridazinecarboxaldehyde Specification

The CAS register number of Pyridazine-4-carbaldehyde is 50901-42-3. It also can be called as 4-Pyridazinecarboxaldehyde. The molecular formula about this chemical is C5H4N2O and the molecular weight is 108.1. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Pyridazine-4-carbaldehyde are: (1)ACD/LogP: -0.86; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4; (5)ACD/KOC (pH 7.4): 4; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 42.85 Å2; (9)Index of Refraction: 1.581; (10)Molar Refractivity: 29.188 cm3; (11)Molar Volume: 87.547 cm3; (12)Polarizability: 11.571x10-24cm3; (13)Surface Tension: 57.072 dyne/cm; (14)Density: 1.235 g/cm3; (15)Flash Point: 139.901 °C; (16)Enthalpy of Vaporization: 54.042 kJ/mol; (17)Boiling Point: 300.361 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnncc1
(2)InChI: InChI=1/C5H4N2O/c8-4-5-1-2-6-7-3-5/h1-4H
(3)InChIKey: BZORCBQGFKOHMY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H4N2O/c8-4-5-1-2-6-7-3-5/h1-4H
(5)Std. InChIKey: BZORCBQGFKOHMY-UHFFFAOYSA-N

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