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Name |
2H-Pyrimido[1,2-b]pyridazin-2-one,7-chloro- |
EINECS | N/A |
CAS No. | 88820-44-4 | Density | 1.579g/cm3 |
PSA | 47.26000 | LogP | 0.74290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4ClN3O | Boiling Point | 307.571 °C at 760 mmHg |
Molecular Weight | 181.581 | Flash Point | 139.814 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-chloro-2H-pyrimido[1,2-b]pyridazin-2-one |
The 2H-Pyrimido[1,2-b]pyridazin-2-one,7-chloro-, with CAS registry number 88820-44-4, has the systematic name of 7-chloro-2H-pyrimido[1,2-b]pyridazin-2-one. Its molecular weight is 181.5792. And the chemical formula of this chemical is C7H4ClN3O.
Physical properties of 2H-Pyrimido[1,2-b]pyridazin-2-one,7-chloro-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.035; (5)ACD/KOC (pH 7.4): 11.035; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 45.03 Å2; (10)Index of Refraction: 1.716; (11)Molar Refractivity: 45.22 cm3; (12)Molar Volume: 114.966 cm3; (13)Polarizability: 17.927×10-24cm3; (14)Surface Tension: 62.445 dyne/cm; (15)Density: 1.579 g/cm3; (16)Flash Point: 139.814 °C; (17)Enthalpy of Vaporization: 54.818 kJ/mol; (18)Boiling Point: 307.571 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-chloro-pyridazin-3-ylamine and propynoic acid ethyl ester. This reaction will need reagent ethanol. The reaction time is 2 hour(s). The yield is about 41%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nn2c1nc(=O)cc2)Cl
(2)InChI: InChI=1/C7H4ClN3O/c8-5-1-2-6-9-7(12)3-4-11(6)10-5/h1-4H
(3)InChIKey: AMXYHYWWWQIEMQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H4ClN3O/c8-5-1-2-6-9-7(12)3-4-11(6)10-5/h1-4H
(5)Std. InChIKey: AMXYHYWWWQIEMQ-UHFFFAOYSA-N