1-(4-Fluoro-2-methoxyphenyl)ethan-1-one

HCID 142887

Notes Reactions

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Basic information

CAS: 51788-80-8
Standard SMILES: COc1cc(F)ccc1C(C)=O
InChIKey: YOXBPWVWNQROBJ-UHFFFAOYSA-N
Molecular formula: C9H9FO2
Average molar mass: 168.16 g/mol
Monoisotopic mass: 168.05865775

Names & identifiers

Preferred name: 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one
IUPAC: 1-(4-fluoro-2-methoxyphenyl)ethanone
English name: 4-Fluoro-2-methoxyacetophenone
Molecular formula: C9H9FO2
Molecular weight: 168.16

Names & synonyms

1-(4-fluoro-2-methoxyphenyl)ethanone1-(4-fluoro-2-methoxyphenyl)ethan-1-oneRefChem:425442670-596-051788-80-84-Fluoro-2-methoxyacetophenone4'-Fluoro-2'-methoxyacetophenoneMFCD000611431-(4-fluoro-2-methoxy-phenyl)-ethanoneEthanone, 1-(4-fluoro-2-methoxyphenyl)-1-acetyl-4-fluoro-2-methoxybenzeneSTK802225

Show more names

4'-Fluoro-2'-methoxyacetophenone98%4'-Fluoro-2'-methoxyacetophenone 98%4′-Fluoro-2′-methoxyacetophenone, CAS 51788-80-84'-fluoro-2'-methoxyacetophenone,1-(4-fluoro-2-methoxyphenyl)ethanone

1-(4-fluoro-2-methoxy-phenyl)ethanoneCS-0045026Z3308305844 inverted exclamation mark -Fluoro-2 inverted exclamation mark -methoxyacetophenone2'-Methoxy-4'-fluoroacetophenone4'-Fluoro-2'-methoxyacetophenone,2-METHOXY-4-FLUOROACETOPHENONE4'-Fluoro-2'-methoxy

Database identifiers

CAS: 51788-80-8
PubChem CID: 142887
DTXSID: DTXSID30199714
ChEMBL: CHEMBL4591665
EC Number: 670-596-0
Nikkaji: J1.784.726K

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 51 °C · 51 °C
Boiling point: 228.4 · 228.4±20.0 °C(Predicted)
Density: 1.127 · 1.127±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: crystalline powder
color: White
BRN: 2251986 · 2251986
CAS DataBase Reference: 51788 · 51788-80-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2914500090 · 2914500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2914500090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4''-Fluoro-2''-methoxyacetophenone

Preparation methods

PreparationPreparation by reaction of methyl iodide with 4-fluoro-2-hydroxyacetophenone in the presence of potassium carbonate, in DMSO at r.t. for 1 h (100%); in acetone (97%).