9H-carbazol-4-ol

• ChemBase ID: 44442
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: [nH]1c2c(c3c1cccc3)c(O)ccc2
• Canonical SMILES: Oc1cccc2c1c1ccccc1[nH]2
• InChI: InChI=1S/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H
• InChIKey: UEOHATPGKDSULR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazol-4-ol
• IUPAC Traditional name: 9H-carbazol-4-ol
• Synonyms: 9H-Carbazol-4-ol; 4-Hydroxycarbazole; 4-Carbazolol; 4-Hydroxy-9H-carbazole; SKF 106023; 4-Hydroxy Carbazole; 9H-Carbazol-4-ol; 4-Hydroxy-9H-carbazole; 4-hydroxycarbazole; 9H-咔唑-4-醇; 4-羟基咔唑

Database IDs

• CAS Number: 54989-33-2; 52602-39-8
• EC Number: 258-034-9
• MDL Number: MFCD02178385
• PubChem SID: 162049205; 24878279
• PubChem CID: 104251

CALCULATED PROPERTIES

• Acid pKa: 9.023588
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.7871912
• LogD (pH = 7.4): 2.777179
• Log P: 2.7873204
• Molar Refractivity: 55.4531 cm^3
• Polarizability: 23.809635 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Light-Yellow Solid
• Melting Point: 166-168°C; 169-173 °C(lit.)

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >97%; 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C12H9NO

DETAILS

Sigma Aldrich - 543896

Packaging
5 g in glass bottle