CAS 3413-28-3 4-(4-Fluorophenoxy)piperidine (HCID 3734896)

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Basic information

CAS: 3413-28-3
Standard SMILES: Fc1ccc(OC2CCNCC2)cc1
InChIKey: QUPXFCLFBNUVGX-UHFFFAOYSA-N
Molecular formula: C11H14FNO
Average molar mass: 195.23 g/mol
Monoisotopic mass: 195.10594229

Names & identifiers

Preferred name: 4-(4-Fluorophenoxy)piperidine
IUPAC: 4-(4-fluorophenoxy)piperidine
English name: 4-(4-FLUOROPHENOXY)PIPERIDINE
Molecular formula: C11H14FNO
Molecular weight: 195.23

Names & synonyms

4-(4-fluorophenoxy)piperidine3413-28-3DTXSID50395711RefChem:97235DTXCID40346570838-816-14-(4-Fluoro-phenoxy)-piperidinePiperidine, 4-(4-fluorophenoxy)-C11H14FNOMFCD041150154-(p-fluorophenoxy)piperidineSCHEMBL187435

Show more names

CHEMBRDG-BB 40044844-(4-fluorophenoxy)piperidine(SALTDATA: HCl)

SCHEMBL2093605SCHEMBL31267224-(4-Floro-phenoxy)-piperidineQUPXFCLFBNUVGX-UHFFFAOYSA-N4-fluoro-1-(4-piperidyloxy)benzeneSTL065670AKOS000181615AB19457

Database identifiers

CAS: 3413-28-3
PubChem CID: 3734896
DTXSID: DTXSID50395711
EC Number: 838-816-1

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 83 · 83-85 °C(Press: 0.3 Torr)
Density: 1.108 · 1.108±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 10.48 · 10.48±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H315-H302-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H315-H302-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501