9H-Fluoren-1-ol

HCID 96087CAS 28724-53-0

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Basic information

Standard SMILES: Oc1cccc2c1Cc1ccccc1-2
InChIKey: PWFLISNWYDWJHX-UHFFFAOYSA-N
Molecular formula: C13H10O
Average molar mass: 182.22 g/mol
Monoisotopic mass: 182.07316494

Names & identifiers

Preferred name: 9H-Fluoren-1-ol
IUPAC: 9H-fluoren-1-ol
English name: 1-FLUORENOL
Molecular formula: C13H10O
Molecular weight: 182.22

Names & synonyms

9H-Fluoren-1-ol6344-61-2DTXSID40951380RefChem:1075069DTXCID901379500Fluoren-1-ol1-FLUORENOL28724-53-09H-FluorenolNSC51310NSC 51310Cambridge id 5135308

Show more names

l-hydroxyfluorene1-Hydroxyfluorene1-Hydroxy-9H-fluorene

SCHEMBL58472SCHEMBL58474SCHEMBL246576SCHEMBL8914611SCHEMBL10345829PWFLISNWYDWJHX-UHFFFAOYSA-NHMS1577P21GAA34461

Database identifiers

CAS: 28724-53-0、6344-61-2
PubChem CID: 96087
DTXSID: DTXSID40951380
Nikkaji: J308.967C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 213

Physicochemical properties

Melting point: 116 · 116-119°C
Boiling point: 341.573 · 341.573±21.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.242 · 1.242±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 10.037 · 10.037±0.20(predicted)
color: Pale Yellow to Light Yellow

Chemistry & industry

Applications

UsesA metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.

UsesAs a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects, fluoren-1-ol is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.