1H-indazol-6-ol

• ChemBase ID: 64394
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: n1[nH]c2c(c1)ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)
• InChIKey: NUYZVDBIVNOTSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-6-ol
• IUPAC Traditional name: 1H-indazol-6-ol
• Synonyms: 1H-Indazol-6-ol; 1H-indazol-6-ol; 6-Hydroxy-1H-indazole; 6-Hydroxy-1H-indazole; 6-羟基吲唑; 6-羟基-1H-吲唑

Database IDs

• CAS Number: 23244-88-4
• MDL Number: MFCD00022788
• PubChem SID: 162030133
• PubChem CID: 90041

CALCULATED PROPERTIES

• Acid pKa: 9.422013
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9926662
• LogD (pH = 7.4): 0.9886595
• Log P: 0.99274236
• Molar Refractivity: 38.054 cm^3
• Polarizability: 15.246646 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C; 217-221 °C; 217-221°C
• Hydrophobicity(logP): 1.634

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C7H6N2O

DETAILS

Sigma Aldrich - 717134

Packaging
1 g in glass bottle