CAS No.64882-65-1,2,3-DIHYDRO-3-OXO-4-PYRIDAZINECARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64882-65-1
Name:	2,3-DIHYDRO-3-OXO-4-PYRIDAZINECARBONITRILE

Formula:	C₅H₃N₃O
Molecular Weight:	121.1
Synonyms:	3-Oxo-2,3-dihydropyridazine-4-carbonitrile;2,3-Dihydro-3-oxo-4-pyridazinecarbonitrile;
EINECS:	200-001-2
Density:	1.38 g/cm³
PSA:	69.54000
LogP:	-0.35842

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Specification

The 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-, with the CAS registry number 64882-65-1, is also known as 2,3-Dihydro-3-oxo-4-pyridazinecarbonitrile. This chemical's molecular formula is C₅H₃N₃O and molecular weight is 121.1. What's more, its systematic name is 3-oxo-2,3-dihydropyridazine-4-carbonitrile.

Physical properties of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo- are: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 65.25 Å²; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 31.91 cm³; (13)Molar Volume: 87.738 cm³; (14)Polarizability: 12.65×10^-24cm³; (15)Surface Tension: 60.746 dyne/cm; (16)Density: 1.38 g/cm³.

Uses of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-: it can be used to produce 2-(hydroxymethyl)-2,3-dihydro-3-oxopyridazine-4-carbonitrile at the ambient temperature. It will need solvents ethanol, H₂O with the reaction time of 3 hours. The yield is about 46%.

4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo- can be used to produce 2-(hydroxymethyl)-2,3-dihydro-3-oxopyridazine-4-carbonitrile at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C1=C\C=N/NC1=O
(2)InChI: InChI=1S/C5H3N3O/c6-3-4-1-2-7-8-5(4)9/h1-2H,(H,8,9)
(3)InChIKey: CPZLKSSMZLLSBN-UHFFFAOYSA-N