pyridazine-3,6-diol

• ChemBase ID: 107428
• Molecular Formular: C4H4N2O2
• Molecular Mass: 112.08676
• Monoisotopic Mass: 112.02727738
• SMILES: Oc1ccc(O)nn1
• Canonical SMILES: Oc1ccc(nn1)O
• InChI: InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
• InChIKey: BGRDGMRNKXEXQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazine-3,6-diol
• IUPAC Traditional name: pyridazine-3,6-diol
• Synonyms: 3,6-DIHYDROXYPYRIDAZINE; Pyridazine-3,6-diol; cis-Butenedioic acid hydrazide; 1,2-Dihydro-3,6-pyridazinedione; Maleic hydrazide; 马来酰肼

Database IDs

• CAS Number: 123-33-1
• EC Number: 204-619-9
• MDL Number: MFCD00006665
• Beilstein Number: 112223
• Merck Index: 145705
• PubChem SID: 162094561
• PubChem CID: 21954

CALCULATED PROPERTIES

• Acid pKa: 7.976024
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35615718
• LogD (pH = 7.4): 0.25651
• Log P: 0.35758784
• Molar Refractivity: 28.3532 cm^3
• Polarizability: 9.862546 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 305°C dec.
• Flash Point: 300°C(572°F)
• Density: 1.600

Safety Information

• RTECS: UR5950000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38-68
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H341-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203693

MP Biomedicals Rare Chemical collection