pyridazine

• ChemBase ID: 70351
• Molecular Formular: C4H4N2
• Molecular Mass: 80.08796
• Monoisotopic Mass: 80.03744814
• SMILES: c1cccnn1
• Canonical SMILES: c1ccnnc1
• InChI: InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
• InChIKey: PBMFSQRYOILNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazine
• IUPAC Traditional name: pyridazine
• Synonyms: Pyridazine; Pyridazine; 1,2-diazine; orthodiazine; oizine; 哒嗪

Database IDs

• CAS Number: 289-80-5
• EC Number: 206-025-5
• MDL Number: MFCD00006463
• Beilstein Number: 103906
• Merck Index: 147969
• PubChem SID: 24888032; 24898697; 162036071
• PubChem CID: 9259
• CHEBI ID: 30954
• CHEMBL: 15719
• Chemspider ID: 8902
• Wikipedia Title: Pyridazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.22464904
• LogD (pH = 7.4): -0.22420226
• Log P: -0.22419657
• Molar Refractivity: 23.7644 cm^3
• Polarizability: 8.540356 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible with water, benzene, DMF. Soluble in alcohol, ether
• Apperance: colorless liquid
• Melting Point: -8 - -6°C; -8 °C(lit.); -8°C; -8°C
• Boiling Point: 208 °C(lit.); 208°C; 87°C/14mm
• Flash Point: 185 °F; 85 °C; 85°C(185°F)
• Density: 1.103 g/mL at 25 °C(lit.); 1.105; 1.107 g/cm^3
• Refractive Index: 1.5240; n20/D 1.524; n20/D 1.524(lit.)
• Hydrophobicity(logP): -0.732
• pKa: 2.10

Safety Information

• Storage Warning: IRRITANT
• RTECS: GY2390000; UR5267000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥98.0% (GC); 95%; 95+%; 98%; 98+%
• Grade: purum
• Empirical Formula (Hill Notation): C4H4N2

DETAILS

Sigma Aldrich - P57204

Packaging
5, 50 g in glass bottle

REFERENCES

• Reacts with Grignard reagents by 1,4-addition to give 4-substituted 1,4-dihydropyridazines in moderate yield: Acta Chem. Scand., 44, 279 (1990).