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CAS No.: | 372118-01-9 |
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Name: | METHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H4Cl2N2O2 |
Molecular Weight: | 207.016 |
Synonyms: | 3-Methoxycarbonyl-4,6-dichloropyridazine;Methyl 4,6-dichloropyridazine-3-carboxylate;4,6-Dichloropyridazine-3-carboxylic acid methyl ester; |
Density: | 1.504 g/cm3 |
Boiling Point: | 345.165 °C at 760 mmHg |
Flash Point: | 162.55 °C |
PSA: | 52.08000 |
LogP: | 1.57000 |
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The Methyl 4,6-dichloropyridazine-3-carboxylate, with the CAS registry number 372118-01-9, is also known as 4,6-Dichloropyridazine-3-carboxylic acid methyl ester. This chemical's molecular formula is C6H4Cl2N2O2 and molecular weight is 207.01. What's more, its systematic name is Methyl 4,6-dichloro-3-pyridazinecarboxylate.
Physical properties of Methyl 4,6-dichloropyridazine-3-carboxylate are: (1)ACD/LogP: 0.908; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.88; (6)ACD/BCF (pH 7.4): 2.88; (7)ACD/KOC (pH 5.5): 74.25; (8)ACD/KOC (pH 7.4): 74.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 43.999 cm3; (15)Molar Volume: 137.675 cm3; (16)Polarizability: 17.442×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.504 g/cm3; (19)Flash Point: 162.55 °C; (20)Enthalpy of Vaporization: 58.92 kJ/mol; (21)Boiling Point: 345.165 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)nnc1C(=O)OC
(2)Std. InChI: InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-3(7)2-4(8)9-10-5/h2H,1H3
(3)Std. InChIKey: MZEVRGMQXLNKEZ-UHFFFAOYSA-N