CAS 446-22-0 1-(2-Fluorophenyl)propan-1-one (HCID 579399)

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Basic information

CAS: 446-22-0
Standard SMILES: CCC(=O)c1ccccc1F
InChIKey: NSNSIFGTEGKZFK-UHFFFAOYSA-N
Molecular formula: C9H9FO
Average molar mass: 152.16 g/mol
Monoisotopic mass: 152.06374313

Names & identifiers

Preferred name: 1-(2-Fluorophenyl)propan-1-one
IUPAC: 1-(2-fluorophenyl)propan-1-one
English name: 2-Fluoropropiophenone
Molecular formula: C9H9FO
Molecular weight: 152.17

Names & synonyms

446-22-01-(2-fluorophenyl)propan-1-oneDTXSID40963246RefChem:422129DTXCID101391011642-558-32'-FluoropropiophenoneMFCD000098931-Propanone, 1-(2-fluorophenyl)-Ethyl 2-Fluorophenyl Ketone1-(2-Fluorophenyl)-1-propanone2'-Fluoropropiophenone; 1-(2-Fluorophenyl)-1-propanone; 2-Fluorophenyl Ethyl Ketone

Show more names

1-(2-Fluorophenyl)2-FLUOROPROPIOPHENONE2-Fluoropropiophendneo-Fluoropropiophenone2-Fluoropropiophenone99%2'-Fluoropropiophenone>2'-FLUOROPROPIOPHENONE 98%2'-FLUOROPROPIOPHENONE 98%

2`-Fluoropropiophenone2 inverted exclamation mark -FluoropropiophenoneSCHEMBL1155949SCHEMBL5544561SCHEMBL9211931SCHEMBL300367251-(2-fluoro-phenyl)-propan-1-one1-(2-Fluorophenyl)-1-propanone #

Database identifiers

CAS: 446-22-0
PubChem CID: 579399
DTXSID: DTXSID40963246
EC Number: 642-558-3
Nikkaji: J1.196.415J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 95 · 95-99 °C19 mm Hg(lit.)
Density: 1.102 g/mL · 1.102 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5043(lit.)
Flash point: 175 °F · 175 °F
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform, Methanol
form: Oil
color: Pale Yellow
Specific Gravity: 1.102 · 1.102
Water Solubility: Soluble in chloroform, methanol. Not miscible in water.
BRN: 3235723 · 3235723
InChI: InChI=1S/C9H9FO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey: NSNSIFGTEGKZFK-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1F)(=O)CC
CAS DataBase Reference: 446 · 446-22-0(CAS DataBase Reference)
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (14.3%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (14.3%)

Safety data

wgk: 3
hs_code: 29147000
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H227
Precautionary statements: P210-P280-P403+P235-P501-P210e-P280a-P305+P351+P338-P501a