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36725-37-8

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Basic Information
CAS No.: 36725-37-8
Name: 6-(4-BROMOPHENYL)-4 5-DIHYDRO-2H-PYRIDA&
Article Data: 11
Molecular Structure:
Molecular Structure of 36725-37-8 (6-(4-BROMOPHENYL)-4 5-DIHYDRO-2H-PYRIDA&)
Formula: C10H9BrN2O
Molecular Weight: 253.098
Synonyms: 6-(p-Bromophenyl)-4,5-dihydro-3(2H)-pyridazinone;6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one;6-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one;6-(4-Bromophenyl)-2,3,4,5-tetrahydropyridazin-3-one;6-(4-Bromophenyl)-2,4,5-trihydropyridazin-3-one;
Density: 1.62 g/cm3
Melting Point: 167-171 °C(lit.)
PSA: 41.46000
LogP: 1.82760
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Specification

The 3(2H)-Pyridazinone,6-(4-bromophenyl)-4,5-dihydro- with CAS registry number of 36725-37-8 is also known as 6-(4-Bromophenyl)-4,5-dihydro-3(2H)-pyridazinone. The systematic name is 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one. Its product categories are Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridazines; PyridazinesHeterocyclic Building Blocks. In addition, the formula is C10H9BrN2O and the molecular weight is 253.1.

Physical properties about this chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 2.45; (7)ACD/KOC (pH 5.5): 66.02; (8)ACD/KOC (pH 7.4): 66.02; (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: 1.62 g/cm3.

Uses of 3(2H)-Pyridazinone,6-(4-bromophenyl)-4,5-dihydro-: it is used to produce 6-(4-Bromo-phenyl)-2H-pyridazin-3-one. The reaction occurs with reagent CuCl2 and solvent Acetonitrile. What's more, it needs other condition of heating for 3 hours. The yield is 86%.

3(2H)-Pyridazinone,6-(4-bromophenyl)-4,5-dihydro- is used to produce 6-(4-Bromo-phenyl)-2H-pyridazin-3-one.

You can still convert the following datas into molecular structure:
1. SMILES: O=C2N/N=C(/c1ccc(Br)cc1)CC2
2. InChI: InChI=1/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
3. InChIKey: CDDNLMGOLYMTSF-UHFFFAOYAE
4. Std. InChI: InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
5. Std. InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N