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CAS No.: | 1698-64-2 |
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Name: | 4,5-DICHLORO-6-HYDROXY-2-PHENYL-3(2H)-PYRIDAZINONE |
Molecular Structure: | |
Formula: | C10H6Cl2N2O2 |
Molecular Weight: | 257.076 |
Synonyms: | 3(2H)-Pyridazinone,4,5-dichloro-6-hydroxy-2-phenyl- (7CI,8CI); |
Density: | 1.59 g/cm3 |
Boiling Point: | 361.6 °C at 760 mmHg |
Flash Point: | 172.5 °C |
PSA: | 55.12000 |
LogP: | 2.24490 |
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The 3,6-Pyridazinedione,4,5-dichloro-1,2-dihydro-1-phenyl-, with CAS registry number 1698-64-2, has the systematic name of 4,5-dichloro-1-phenyl-1,2-dihydropyridazine-3,6-dione. Besides this, it is also called 4,5-Dichloro-6-hydroxy-2-phenyl-3(2h)-pyridazinone. And the chemical formula of this chemical is C10H6Cl2N2O2.
Physical properties of 3,6-Pyridazinedione,4,5-dichloro-1,2-dihydro-1-phenyl-: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -2.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 60.11 cm3; (15)Molar Volume: 161.6 cm3; (16)Polarizability: 23.83×10-24cm3; (17)Surface Tension: 64 dyne/cm; (18)Density: 1.59 g/cm3; (19)Flash Point: 172.5 °C; (20)Enthalpy of Vaporization: 64.09 kJ/mol; (21)Boiling Point: 361.6 °C at 760 mmHg; (22)Vapour Pressure: 7.34E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(\Cl)=C(\Cl)C(=O)N(c1ccccc1)N2
(2)InChI: InChI=1/C10H6Cl2N2O2/c11-7-8(12)10(16)14(13-9(7)15)6-4-2-1-3-5-6/h1-5H,(H,13,15)
(3)InChIKey: RLDVCUFZRBFQJE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H6Cl2N2O2/c11-7-8(12)10(16)14(13-9(7)15)6-4-2-1-3-5-6/h1-5H,(H,13,15)
(5)Std. InChIKey: RLDVCUFZRBFQJE-UHFFFAOYSA-N