CAS No.1698-54-0,3-HYDROXY-1-PHENYL-6-PYRIDAZONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1698-54-0
Name:	3-HYDROXY-1-PHENYL-6-PYRIDAZONE
Article Data:	24

Formula:	C₁₀H₈N₂O₂
Molecular Weight:	188.186
Synonyms:	2-Phenyl-6-hydroxy-3(2H)-pyridazinone;6-Hydroxy-2-phenyl-3(2H)-pyridazinone;Maleic acid phenylhydrazide;NSC 163341;NSC 17181;Phenyl maleic hydrazide;
EINECS:	216-918-1
Density:	1.306g/cm³
Boiling Point:	358.9 °C at 760 mmHg
Flash Point:	170.9 °C
PSA:	55.12000
LogP:	0.93810

Total:20 Page 1 of 1 1

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Specification

The 3,6-Pyridazinedione,1,2-dihydro-1-phenyl-, with CAS registry number 1698-54-0, has the systematic name of 1-phenyl-1,2-dihydropyridazine-3,6-dione. Besides this, it is also called 3-Hydroxy-1-phenyl-6-pyridazone. And the chemical formula of this chemical is C₁₀H₈N₂O₂. What's more, its EINECS is 216-918-1.

Physical properties of 3,6-Pyridazinedione,1,2-dihydro-1-phenyl-: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.7; (6)ACD/BCF (pH 7.4): 1.62; (7)ACD/KOC (pH 5.5): 50.8; (8)ACD/KOC (pH 7.4): 48.64; (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: 1.606; (14)Molar Refractivity: 49.67 cm³; (15)Molar Volume: 144 cm³; (16)Polarizability: 19.69×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.306 g/cm³; (19)Flash Point: 170.9 °C; (20)Enthalpy of Vaporization: 63.78 kJ/mol; (21)Boiling Point: 358.9 °C at 760 mmHg; (22)Vapour Pressure: 8.92E-06 mmHg at 25°C.

Uses of 3,6-Pyridazinedione,1,2-dihydro-1-phenyl-: it can be used to produce 1-(2,4,6-trichloro-phenylamino)-pyrrole-2,5-dione. This reaction will need reagent chlorine and solvent dimethylformamide. The reaction time is 105 min with reaction temperature of 45 - 50 ℃. The yield is about 53%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C/C(=O)N(c1ccccc1)N2
(2)InChI: InChI=1/C10H8N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13)
(3)InChIKey: KJEBAQNNTMWJJI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13)
(5)Std. InChIKey: KJEBAQNNTMWJJI-UHFFFAOYSA-N