CAS No.64178-58-1,4-CHLORO-5-HYDROXY-3(2H)-PYRIDAZINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64178-58-1
Name:	4-CHLORO-5-HYDROXY-3(2H)-PYRIDAZINONE
Article Data:	2

Formula:	C₄H₃ClN₂O₂
Molecular Weight:	146.533
Synonyms:	NSC 269136;5-Chloro-6-hydroxy-1H-pyridazin-4-one;4-Chloro-5-hydroxy-3(2h)-pyridazinone;
Density:	1.79 g/cm³
Melting Point:	270-273 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling Point:	213.3 °C at 760 mmHg
Flash Point:	82.8 °C
PSA:	65.98000
LogP:	0.12890

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Specification

The 3(2H)-Pyridazinone,4-chloro-5-hydroxy- with CAS registry number of 64178-58-1 is also known as 5-Chloro-6-hydroxypyridazin-4(1H)-one. The IUPAC name is 5-Chloro-6-hydroxy-1H-pyridazin-4-one. In addition, the formula is C₄H₃ClN₂O₂ and the molecular weight is 146.53.

Physical properties about this chemical are: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.9Å²; (7)Index of Refraction: 1.681; (8)Molar Refractivity: 30.83 cm3; (9)Molar Volume: 81.4 cm³; (10)Polarizability: 12.22×10^-24cm³; (11)Surface Tension: 67.7 dyne/cm; (12)Density: 1.79 g/cm³; (13)Flash Point: 82.8 °C; (14)Enthalpy of Vaporization: 52.3 kJ/mol; (15)Boiling Point: 213.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0367 mmHg at 25 °C.

Preparation of 3(2H)-Pyridazinone,4-chloro-5-hydroxy-: it is prepared by reaction of 4,5-Dichloro-2H-pyridazin-3-one. The reaction needs reagent 8N KOH and other condition of heating for 6 hours. The yield is about 54%.

3(2H)-Pyridazinone,4-chloro-5-hydroxy- is prepared by reaction of 4,5-Dichloro-2H-pyridazin-3-one.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1\C=N/NC(/O)=C1/Cl
2. InChI: InChI=1/C4H3ClN2O2/c5-3-2(8)1-6-7-4(3)9/h1H,(H2,7,8,9)
3. InChIKey: IGMBVYZMSAQEDJ-UHFFFAOYAE
4. Std. InChI: InChI=1S/C4H3ClN2O2/c5-3-2(8)1-6-7-4(3)9/h1H,(H2,7,8,9)
5. Std. InChIKey: IGMBVYZMSAQEDJ-UHFFFAOYSA-N