Basic information
- CAS
6344-60-1- Standard SMILES
O=C1c2ccccc2-c2cccc(O)c21- InChIKey
QUUNMPSDKIURJD-UHFFFAOYSA-N- Molecular formula
- C13H8O2
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.05242949
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Hydroxyfluorenone
- IUPAC
- 1-hydroxyfluoren-9-one
- English name
- 1-HYDROXY-9-FLUORENONE
- Molecular formula
- C13H8O2
- Molecular weight
- 196.2
Names & synonyms
1-Hydroxyfluoren-9-one6344-60-1W4YR69TDU4NSC-51309DTXSID702128551-hydroxyfluorenoneRefChem:907634DTXCID00135346228-746-41-Hydroxy-9-fluorenone1-Hydroxy-9H-fluoren-9-one1-hydroxy-fluoren-9-one
Show more names
1-hydroxy-9H-fluoren-o-one1-Hydroxy-9-fluorenone,99%9H-Fluoren-9-one,1-hydroxy-1-Hydroxy-9-fluorenone in toluene
9H-Fluoren-9-one, 1-hydroxy-9-hydroxyfluorenoneNSC51309EINECS 228-746-4119620-42-7UNII-W4YR69TDU4SCHEMBL1039833SCHEMBL1333817
Database identifiers
- CAS
6344-60-1- PubChem CID
- 80663
- DTXSID
DTXSID70212855- UNII
- W4YR69TDU4
- EC Number
- 228-746-4
- Nikkaji
- J4.448B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 116 · 116-119 °C
- Boiling point
- 293.09 °C · 293.09°C (rough estimate)
- Density
- 1.1482 · 1.1482 (rough estimate)
- refractive index
- 1.5954 · 1.5954 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane, Ethyl Acetate
- form
- Solid
- pka
- 7.71 · 7.71±0.20(Predicted)
- color
- Yellow
- CAS DataBase Reference
- 6344 · 6344-60-1
- FDA UNII
- 4 YR69TDU4 · W4YR69TDU4
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914390090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemistry & industry
Applications
Uses1-Hydroxy-9H-fluoren-9-one is an intermediate in synthesizing Fluoren-1-ol (F462450), a 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.
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Richest Group Ltd18017061086 · [email protected]
Related reactions
1 records
Compound notes
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