9H-fluoren-9-ol

• ChemBase ID: 91067
• Molecular Formular: C13H10O
• Molecular Mass: 182.2179
• Monoisotopic Mass: 182.07316494
• SMILES: OC1c2c(cccc2)c2c1cccc2
• Canonical SMILES: OC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
• InChIKey: AFMVESZOYKHDBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ol
• IUPAC Traditional name: fluorenol
• Synonyms: 9-Fluorenol; 9-Hydroxyfluorene; 9H-Fluoren-9-ol; 9-Hydroxy-9H-fluorene 97%; 9H-Fluoren-9-ol; 9-Hydroxyfluorene; Fluorenol; 9-FLUORENOL; 9-Fluorenol; 9-芴醇; 9-羟基芴; 9-芴醇

Database IDs

• CAS Number: 1689-64-1
• EC Number: 216-879-0
• MDL Number: MFCD00001135
• Beilstein Number: 1869799
• PubChem SID: 162077771; 24895548
• PubChem CID: 74318
• Wikipedia Title: Fluorenol

CALCULATED PROPERTIES

• Acid pKa: 13.89667
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6641157
• LogD (pH = 7.4): 2.6641157
• Log P: 2.6641157
• Molar Refractivity: 56.2349 cm^3
• Polarizability: 23.11192 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Practically insoluble in water
• Apperance: Off-white crystalline powder
• Melting Point: 152–155 °C; 153-154 °C(lit.); 155-157°C; 155-157°C
• Density: 1.151 g/mL

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• NFPA704:
  

  0

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 96%; 98+%
• Empirical Formula (Hill Notation): C13H10O

DETAILS

MP Biomedicals - 05204408

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H31204

Packaging
25 g in poly bottle
5 g in glass bottle