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4,5-Dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone

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Name

4,5-Dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone

EINECS N/A
CAS No. 1698-64-2 Density 1.59 g/cm3
PSA 55.12000 LogP 2.24490
Solubility N/A Melting Point N/A
Formula C10H6Cl2N2O2 Boiling Point 361.6 °C at 760 mmHg
Molecular Weight 257.076 Flash Point 172.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1698-64-2 (4,5-DICHLORO-6-HYDROXY-2-PHENYL-3(2H)-PYRIDAZINONE) Hazard Symbols N/A
Synonyms

3(2H)-Pyridazinone,4,5-dichloro-6-hydroxy-2-phenyl- (7CI,8CI);

 

4,5-Dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone Specification

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

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