4-Fluoroanisole
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Basic information
- CAS
459-60-9- Standard SMILES
COc1ccc(F)cc1- InChIKey
VIPWUFMFHBIKQI-UHFFFAOYSA-N- Molecular formula
- C7H7FO
- Average molar mass
- 126.13 g/mol
- Monoisotopic mass
- 126.04809306
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Fluoroanisole
- IUPAC
- 1-fluoro-4-methoxybenzene
- English name
- 4-Fluoroanisole
- Molecular formula
- C7H7FO
- Molecular weight
- 126.13
Names & synonyms
4-Fluoroanisole459-60-91-FLUORO-4-METHOXYBENZENEp-FluoroanisoleAnisole, p-fluoro-p-Fluoromethoxybenzenep-MethoxyfluorobenzeneBenzene, 1-fluoro-4-methoxy-p-Fluorophenyl methyl etherNSC-4672F6A62M57LMDTXSID3060033
Show more names
NSC 46724-F-Anisole4-Fluoranisolp-fluoroanisol4-fluoranisole4-Floroanisole
RefChem:562489DTXCID1040455207-295-71-fluoro-4-methoxy-benzeneMFCD000003484-fluoroanisol4-METHOXYFLUOROBENZENE4-Methoxyphenyl fluoride
Database identifiers
- CAS
459-60-9- PubChem CID
- 9987
- DTXSID
DTXSID3060033- UNII
- F6A62M57LM
- EC Number
- 207-295-7
- Nikkaji
- J95.438A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 45 °C · −45 °C(lit.)
- Boiling point
- 157 °C · 157 °C(lit.)
- Density
- 1.114 g/mL · 1.114 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 110 °F · 110 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 1.114 · 1.114
- color
- Clear colorless to light yellow
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 1281425 · 1281425
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3271 3/PG 3
- hs_code
- 29093090
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F
- hazard_note
- Flammable
- safety_code
- 16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-fluoro-4-methoxy-: ACTIVE
Applications
UsesAn Acetanilide and Anisole derivative metabolite by liver.
Uses4-Fluoroanisole is a raw material for medicine and intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
70 records
Compound notes
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