| Identification | More | [Name]
4-Fluoro-1,3-benzenediol | [CAS]
103068-41-3 | [Synonyms]
4-FLUORO-1,3-DIHYDROXYBENZENE
4-FLUORORESORCINOL
4-Fluoro-1,3-benzenediol
4-Fluorobenzene-1,3-diol
4-Fluoro-1,3-benzenediol, 4-Fluoro-1,3-dihydroxybenzene | [Molecular Formula]
C6H5FO2 | [MDL Number]
MFCD03789074 | [Molecular Weight]
128.1 | [MOL File]
103068-41-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
96-100 °C | [Boiling point ]
240.8±10.0 °C(Predicted) | [density ]
1.415±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
DMSO, Methanol | [form ]
Solid | [pka]
8.49±0.10(Predicted) | [color ]
Brown | [InChI]
InChI=1S/C6H5FO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H | [InChIKey]
XPOIJNIQXJYQOV-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C(F)C(O)=C1 | [CAS DataBase Reference]
103068-41-3(CAS DataBase Reference) | [Storage Precautions]
Heat sensitive |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
1759 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
2908190090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
4-Fluoro-1,3-benzenediol is Brown Solid
| [Uses]
4-Fluoro-1,3-benzenediol is used in the preparation of fluorescent dyes and indicators.
| [Uses]
Reagent used in the preparation of fluorescent dyes and indicators. | [Synthesis]
GENERAL METHODS: A mixture of resorcinol (20 mg), F-TEDA-BF4 (1.1 eq.), ionic liquid (IL, 0-15 eq.), and organic solvents (5 mL) was subjected to stirring under an argon atmosphere at different temperatures (cf. Tables 1-5) for 5 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the resulting product was dissolved in CDCl3 or CDCl3-DMSO-d6 and analyzed by 1H NMR and 19F NMR. Peak area integration was performed using Cl2CHCHCl2 and PhCF3 as internal standards. | [References]
[1] Journal of Medicinal Chemistry, 2005, vol. 48, # 16, p. 5295 - 5304
[2] Arkivoc, 2017, vol. 2018, # 2, p. 60 - 71 |
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