2-Acetyl-4-fluorophenol (HCID 95992)

Overview

1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one is an aromatic ketone.

Names & identifiers

Preferred name: 2-Acetyl-4-fluorophenol
IUPAC: 1-(5-fluoro-2-hydroxyphenyl)ethanone
English name: 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone
Molecular formula: C8H7FO2
Molecular weight: 154.14

Names & synonyms

394-32-15'-Fluoro-2'-hydroxyacetophenone1-(5-Fluoro-2-hydroxyphenyl)ethanone1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one5-Fluoro-2-hydroxyacetophenone2-Hydroxy-5-fluoroacetophenoneAcetophenone, 5'-fluoro-2'-hydroxy-2-Acetyl-4-fluorophenolUE6FHC9K7MNSC-46624KOFFXZYMDLWRHX-UHFFFAOYSA-DTXSID30192588

Show more names

2-Acety-4-fluorophenol1-(5-FLUORO-2-HYDROXY-P2-hydroxy-5-fluorophenone5'-Fluoro-2'-hydroxyacetopheno5’-fluoro-2’-hydroxy-acetophenon

NSC 46624RefChem:197650DTXCID701150793-FLUORO-6-HYDROXYACETOPHENONEInChI=1/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3KOFFXZYMDLWRHX-UHFFFAOYSA-N1-(5-fluoro-2-hydroxyphenyl)-1-ethanoneEthanone, 1-(5-fluoro-2-hydroxyphenyl)-

Database identifiers

CAS: 394-32-1
PubChem CID: 95992
DTXSID: DTXSID30192588
ChEMBL: CHEMBL5278222
ChEBI: CHEBI:194799
UNII: UE6FHC9K7M
EC Number: 206-893-5
Nikkaji: J213.629E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 56 · 56-58 °C(lit.)
Boiling point: 65 · 65-66 °C8 mm Hg(lit.)
Density: 1.185 · 1.1850 (estimate)
Flash point: 65 · 65-66°C/8mm
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 10.17 · 10.17±0.18(Predicted)
color: White to Gray to Brown
Water Solubility: 0.68 G/L · Soluble 0.68 G/L
BRN: 2359087 · 2359087
InChI: 1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1O
CAS DataBase Reference: 394 · 394-32-1(CAS DataBase Reference)
FDA UNII: 6 FHC9K7M · UE6FHC9K7M
NIST Chemistry Reference: 5 · 5-Fluoro-2-hydroxyacetophenone(394-32-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39-36/37/39
WGK Germany: 3 · 3
RTECS: 8502300 · AM8502300
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: AM8502300
hs_code: 29147000
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses5′-Fluoro-2′-hydroxyacetophenone has been used in the preparation of:1-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-phenyl-2,4-pentadien-1-one3-hydroxy and 3-methoxyflavones3-hydroxy and 3-methoxy 2-styrylchromones

General Description5-fluoro-2-hydroxy acetophenone, also known as 2-ethanoyl-4-fluorophenol or 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone, is a kind of important medicine intermediate, can be used as multiple beta-blockers synthetic intermediate, has vast market prospect.