3(2H)-Pyridazinone,6-(4-bromophenyl)- supplier

Name
6(4-BROMOPHENYL)-3(2H)PYRIDAZINONE
EINECS
CAS No. 50636-57-2
Article Data13
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point 247-250°C
Formula C₁₀H₇BrN₂O
Boiling Point
Molecular Weight 251.082
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(4-Bromophenyl)-2H-pyridazin-3-one;6-(p-Bromophenyl)pyridazone;6-(4-Bromophenyl)-3(2H)-pyridazinone;6-(p-Bromophenyl)-3-pyridazinol;
PSA 45.75000
LogP 2.19940

3(2H)-Pyridazinone,6-(4-bromophenyl)- 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

Product Name

6(4-BROMOPHENYL)-3(2H)PYRIDAZINONE

3(2H)-Pyridazinone,6-(4-bromophenyl)- Specification

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