1-(4-Fluorophenyl)-2-methylpropan-1-one

HCID 2782829

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Basic information

CAS: 26393-91-9
Standard SMILES: CC(C)C(=O)c1ccc(F)cc1
InChIKey: MHUVRVXSYXJUPK-UHFFFAOYSA-N
Molecular formula: C10H11FO
Average molar mass: 166.19 g/mol
Monoisotopic mass: 166.07939319

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-2-methylpropan-1-one
IUPAC: 1-(4-fluorophenyl)-2-methylpropan-1-one
English name: 1-(4-Fluorophenyl)-2-methylpropan-1-one
Molecular formula: C10H11FO
Molecular weight: 166.19

Names & synonyms

1-(4-fluorophenyl)-2-methylpropan-1-one26393-91-9DTXSID30382326RefChem:225161DTXCID10333351672-528-5MFCD040383051-Propanone, 1-(4-fluorophenyl)-2-methyl-4'-fluoroisobutyrophenonep-FluoroisobutyrophenoneSCHEMBL204960Isopropyl p-fluorophenyl ketone

Show more names

4'-Fluoroisobutyrophenone, 97%1-(4-FLUOROPHENYL)-2-METHYLPROPAN-1-ONE 95%1-(4-Fluorophenyl)-2-methylpropan-1-one - [F93365]1-(4-Fluorophenyl)-2-methylpropan-1-one, 1-(4-Fluorophenyl)-2-methyl-1-oxopropane, 4'-Fluoroisobutyrophenone

1-(4-fluoro-phenyl)-2-methyl-propan-1-one1-(4-fluorophenyl)-2-methyl-1-propanonep-Fluoroph1-(4-fluorophenyl)-2-methyl-propan-1-onep-Fluorophenyl isopropyl ketoneSCHEMBL93849484'-Fluoro-2-methylpropiophenoneMHUVRVXSYXJUPK-UHFFFAOYSA-N

Database identifiers

CAS: 26393-91-9
PubChem CID: 2782829
DTXSID: DTXSID30382326
EC Number: 672-528-5
Nikkaji: J986.979D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 95 · 95-97/7mm
Density: 1.048 · 1.048±0.06 g/cm3(Predicted)
refractive index: 1.498 · 1.4980
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
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,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2914790090 · 2914790090

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.