4-Fluorophenol
Basic information
- CAS
371-41-5- Standard SMILES
Oc1ccc(F)cc1- InChIKey
RHMPLDJJXGPMEX-UHFFFAOYSA-N- Molecular formula
- C6H5FO
- Average molar mass
- 112.1 g/mol
- Monoisotopic mass
- 112.03244294
Overview
4-fluorophenol is a fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. It is a fluorophenol and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- 4-Fluorophenol
- IUPAC
- 4-fluorophenol
- English name
- 4-Fluorophenol
- Molecular formula
- C6H5FO
- Molecular weight
- 112.1
Names & synonyms
4-FLUOROPHENOL371-41-5p-FluorophenolPhenol, 4-fluoro-Phenol, p-fluoro-K6DT6TR5E5NSC-10295DTXSID0052047CHEBI:42533RefChem:99038DTXCID5030614206-736-0
Show more names
FluorophenolFPO4-F-PhOHp-Fluorohenol4-Fluorphenolp-FluorphenolP-flrorophenol4-fluoro-pheno
PARA-FLUOROPHENOLMFCD000023164-flourophenol4-flurophenol4-Fluoro-phenolNebivolol Impurity 39FLUOROPHENOL, 4-4-HYDROXYPHENYL FLUORIDE
Database identifiers
- CAS
371-41-5- PubChem CID
- 9732
- DTXSID
DTXSID0052047- ChEMBL
CHEMBL56226- ChEBI
CHEBI:42533- UNII
- K6DT6TR5E5
- EC Number
- 206-736-0
- Nikkaji
- J34.560A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phenols
PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.71
Vapor Pressure1.19 [mmHg]
Physical DescriptionWhite crystalline solid with an odor like phenol; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 43 · 43-46 °C (lit.)
- Boiling point
- 185 °C · 185 °C (lit.)
- Density
- 1.22 · 1.22
- Flash point
- 155 °F · 155 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 80 g/l · 80g/l
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 112 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 4-fluoro-
REACH registered substance: 4-fluorophenol (EC: 206-736-0)
4-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 312 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Phenol. See p-Iodoophenol.
Hazard Classes and CategoriesAcute Tox. 4 (98.2%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Fluorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Uses & manufacturing
General Manufacturing InformationPhenol, 4-fluoro-: ACTIVE
Applications
Uses4-Fluorophenol is a fluorinated phenolic compound with various applications as a starting reagent for synthesizing pharmaceuticals. It is a widely used intermediate in the industrial production of several drugs, including cisapride and Sabeluzole by Janssen, Sorbinil by Pfizer, and Progabide by Synthelabo.
Preparation methods
PreparationAcetyl hypofluorite also will fluoro-demetallate benzene derivatives, for example mercury derivatives of phenol gave 4-fluorophenol.
Upstream & downstream products
Upstream raw materials
Related reactions
953 records
Compound notes
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