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50636-57-2

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Basic Information
CAS No.: 50636-57-2
Name: 6(4-BROMOPHENYL)-3(2H)PYRIDAZINONE
Article Data: 13
Molecular Structure:
Molecular Structure of 50636-57-2 (6(4-BROMOPHENYL)-3(2H)PYRIDAZINONE)
Formula: C10H7BrN2O
Molecular Weight: 251.082
Synonyms: 6-(4-Bromophenyl)-2H-pyridazin-3-one;6-(p-Bromophenyl)pyridazone;6-(4-Bromophenyl)-3(2H)-pyridazinone;6-(p-Bromophenyl)-3-pyridazinol;
Density: 1.61 g/cm3
Melting Point: 247-250°C
PSA: 45.75000
LogP: 2.19940
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Specification

The 3(2H)-Pyridazinone,6-(4-bromophenyl)- with CAS registry number of 50636-57-2 is also known as 6(4-Bromophenyl)-3(2h)pyridazinone. The systematic name is 6-(4-Bromophenyl)pyridazin-3(2H)-one. In addition, the formula is C10H7BrN2O and the molecular weight is 251.08.

Physical properties about 3(2H)-Pyridazinone,6-(4-bromophenyl)- are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.68; (6)ACD/BCF (pH 7.4): 12.67; (7)ACD/KOC (pH 5.5): 214.35; (8)ACD/KOC (pH 7.4): 214.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 58.04 cm3; (15)Molar Volume: 155.7 cm3; (16)Polarizability: 23.01×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.61 g/cm3

Preparation of 3(2H)-Pyridazinone,6-(4-bromophenyl)-: it is prepared by reaction of 6-(4-Bromo-phenyl)-4,5-dihydro-2H-pyridazin-3-one. The reaction needs reagent CuCl2 and solvent Acetonitrile with other condition of heating for 3 hours. The yield is about 86%.

3(2H)-Pyridazinone,6-(4-bromophenyl)- is prepared by reaction of 6-(4-Bromo-phenyl)-4,5-dihydro-2H-pyridazin-3-one.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C=C\C(=N/N1)\c2ccc(Br)cc2
2. InChI: InChI=1/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
3. InChIKey: SXDHLGDAZQDUBI-UHFFFAOYAN
4. Std. InChI: InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
5. Std. InChIKey: SXDHLGDAZQDUBI-UHFFFAOYSA-N