4'-Fluoroacetophenone

HCID 9828CAS 403-42-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(F)cc1
InChIKey
ZDPAWHACYDRYIW-UHFFFAOYSA-N
Molecular formula
C8H7FO
Average molar mass
138.14 g/mol
Monoisotopic mass
138.04809306

Names & identifiers

Preferred name
4'-Fluoroacetophenone
IUPAC
1-(4-fluorophenyl)ethanone
English name
4-Fluoroacetophenone
Molecular formula
C8H7FO
Molecular weight
138.14

Names & synonyms

4'-Fluoroacetophenone1-(4-Fluorophenyl)ethanone4-FLUOROACETOPHENONEp-Fluoroacetophenone1-(4-Fluorophenyl)Ethan-1-OneEthanone, 1-(4-fluorophenyl)-Acetophenone, 4'-fluoro-1-acetyl-4-fluorobenzeneUNII-TVQ090602VP-FLUOROHYPNONEpara-FluoroacetophenoneTVQ090602V
Show more names
4-Fluoracetophenonp-FluoroAKOS BBS-00003234Fluoroacetophenone34-FLUOROCETOPHENONE
METHYL 4-FLUOROPHENYL KETONEEINECS 206-960-9NSC 30635NSC-306354-FLUOROPHENYLETHANAL4-fluorophenyl methyl ketone4-ACETYLPHENYL FLUORIDEDTXSID0059952

Database identifiers

CAS
403-42-9
PubChem CID
9828
DTXSID
DTXSID0059952
ChEMBL
CHEMBL257923
UNII
TVQ090602V
EC Number
206-960-9
Nikkaji
J31.092A

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
DrugsPharmaceuticals -> Metabolite of Pipamperone
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.74
Vapor Pressure0.75 [mmHg]
Physical DescriptionColorless to yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
4 °C · 4 °C
Boiling point
77 · 77-78 °C10 mm Hg(lit.)
Density
1.143 g/mL · 1.143 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.511(lit.)
Flash point
160 °F · 160 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98.5%): 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 67 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Ethanone, 1-(4-fluorophenyl)-
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See alpha-Chloroacetophenone and 4-Chloroacetophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (98.5%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29147090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(4-fluorophenyl)-: ACTIVE
Applications · 3 items

Uses4-Fluoroacetophenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Uses4’-Fluoroacetophenone is an intermediate used for the synthetic preparation of various pharmaceutical good and agricultural products.

Uses4’Fluoroacetophenone is an intermediate used for the synthetic preparation of various pharmaceutical good and agricultural products.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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Linked notes

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