Basic information
- CAS
459-26-7- Standard SMILES
CCOc1ccc(F)cc1- InChIKey
PURLWQWDGIIYBG-UHFFFAOYSA-N- Molecular formula
- C8H9FO
- Average molar mass
- 140.15 g/mol
- Monoisotopic mass
- 140.06374313
Names & identifiers
- Preferred name
- 4-Fluorophenetole
- IUPAC
- 1-ethoxy-4-fluorobenzene
- English name
- 4-Fluorophenetole
- Molecular formula
- C8H9FO
- Molecular weight
- 140.15
Names & synonyms
4-Fluorophenetole1-Ethoxy-4-fluorobenzenep-FluorophenetoleBenzene, 1-ethoxy-4-fluoro-4-EthoxyfluorobenzenePhenetole, p-fluoro-TD5J3N8TM7EINECS 207-287-3NSC-89719P-ETHOXYFLUOROBENZENEDTXSID90196643NSC 89719
Show more names
4-Fluorophenetple4-Fluorophenetole>Phenetole, p-fluoro-4-Fluorophenetole 98%1-Ethoxy-4-fluorobenzene98%
RefChem:99036DTXCID30119134207-287-3PURLWQWDGIIYBG-UHFFFAOYSA-N459-26-71-ethoxy-4-fluoro-benzeneMFCD000179534-ethoxy-1-fluorobenzene
Database identifiers
- CAS
459-26-7- PubChem CID
- 68018
- DTXSID
DTXSID90196643- UNII
- TD5J3N8TM7
- EC Number
- 207-287-3
- Nikkaji
- J110.551E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -8.5 °C · -8.5 °C
- Boiling point
- 173 °C · 173 °C / 766mmHg
- Density
- 1.07 · 1.07
- refractive index
- 1.482 to · gt. 1.4820 to 1.4860
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 459 · 459-26-7(CAS DataBase Reference)
- FDA UNII
- 5 J3N8TM7 · TD5J3N8TM7
- NIST Chemistry Reference
- 1 · Benzene, 1-ethoxy-4-fluoro-(459-26-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-36/37/39-27
- HazardClass
- IRRITANT
- HS Code
- 29093090 · 29093090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-36/37/39-27
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
6 records
Compound notes
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