CAS No.39123-39-2,Ethyl 4-pyridazinecarboxylate Suppliers

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Molecular Structure:
CAS No.:	39123-39-2
Name:	Ethyl 4-pyridazinecarboxylate
Article Data:	3

Formula:	C₇H₈N₂O₂
Molecular Weight:	152.153
Synonyms:	4-Pyridazinecarboxylicacid, ethyl ester;
Density:	1.168 g/cm³
Boiling Point:	290.915 °C at 760 mmHg
Flash Point:	129.741 °C
PSA:	52.08000
LogP:	0.65330

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Specification

The Ethyl 4-pyridazinecarboxylate, with the CAS registry number 39123-39-2, is also known as 4-Pyridazinecarboxylicacid, ethyl ester. This chemical's molecular formula is C₇H₈N₂O₂ and molecular weight is 152.1506. What's more, its IUPAC name is Ethyl pyridazine-4-carboxylate.

Physical properties about Ethyl 4-pyridazinecarboxylate are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 38.841 cm³; (15)Molar Volume: 130.281 cm³; (16)Polarizability: 15.398×10^-24 cm³; (17)Surface Tension: 46.498 dyne/cm; (18)Density: 1.168 g/cm³; (19)Flash Point: 129.741 °C; (20)Enthalpy of Vaporization: 53.032 kJ/mol; (21)Boiling Point: 290.915 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

Uses of Ethyl 4-pyridazinecarboxylate: it is used to produce other chemicals. For example, it is used to produce 5-Methyl-pyridazine-4-carboxylic acid ethyl ester. This reaction needs reagents FeSO₄*7H₂O and tert-Butyl hydroperoxide. Meanwhile, it needs solvent aq. H₂SO₄. The reaction time is 1 hour with reaction temperature of 20 – 25 °C. The yield is about 86 %.

Ethyl 4-pyridazinecarboxylate can be used to produce 5-Methyl-pyridazine-4-carboxylic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cnncc1
(2) InChI: InChI=1/C7H8N2O2/c1-2-11-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3
(3) InChIKey: FVBGGKYTKXFLOV-UHFFFAOYAL