9H-fluoren-2-ol

• ChemBase ID: 145097
• Molecular Formular: C13H10O
• Molecular Mass: 182.2179
• Monoisotopic Mass: 182.07316494
• SMILES: c1ccc2c(c1)Cc1c2ccc(c1)O
• Canonical SMILES: Oc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2
• InChIKey: ZDOIAPGLORMKTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-2-ol
• IUPAC Traditional name: 2-hydroxyfluorene
• Synonyms: 2-Fluorenol; 2-Hydroxyfluorene; 9H-Fluoren-2-ol; Fluoren-2-ol; 2-Hydroxy-9H-fluorene; 2-Hydroxyfluorene; NSC 26316; NSC 31248; 2-Hydroxy Fluorene; 2-芴醇; 2-羟基芴

Database IDs

• CAS Number: 2443-58-5
• EC Number: 219-478-9
• MDL Number: MFCD00010778
• PubChem SID: 24858064; 162239307
• PubChem CID: 75547

CALCULATED PROPERTIES

• Acid pKa: 9.921014
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4354377
• LogD (pH = 7.4): 3.4341552
• Log P: 3.4354541
• Molar Refractivity: 56.8543 cm^3
• Polarizability: 23.018667 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 164-167°C; 167-169 °C(lit.)

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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: 98%
• Empirical Formula (Hill Notation): C13H10O

DETAILS

Sigma Aldrich - 299847

Packaging
100 mg in glass bottle

Toronto Research Chemicals - H942430

A metabolite of polycyclic aromatic hydrocarbons in humans.

REFERENCES

• Jacob, J., et al.: Xenobiotica, 12, 45 (1982)
• Becher, G., et al.: Cancer Lett., 17, 301 (1982)
• Hoffmann, D., et al.: Cancer Treat. Res., 72, 1 (1982)
• Einolf, H., et al.: Chem. Res. Toxicol., 10, 609 (1982)