CAS 37656-48-7 4-(4-Fluorophenyl)piperidine (HCID 2759136)

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Basic information

CAS: 37656-48-7
Standard SMILES: Fc1ccc(C2CCNCC2)cc1
InChIKey: AFYALJSDFPSAAZ-UHFFFAOYSA-N
Molecular formula: C11H14FN
Average molar mass: 179.23 g/mol
Monoisotopic mass: 179.11102767

Names & identifiers

Preferred name: 4-(4-Fluorophenyl)piperidine
IUPAC: 4-(4-fluorophenyl)piperidine
English name: 4-(4-Fluoro-phenyl)-piperidine
Molecular formula: C11H14FN
Molecular weight: 179.23

Names & synonyms

4-(4-fluorophenyl)piperidine37656-48-7DTXSID80374655RefChem:288034DTXCID60325685672-385-94-(4-fluoro-phenyl)-piperidineMFCD03426392PIPERIDINE, 4-(4-FLUOROPHENYL)-4-(4-fluorophenyl)-piperidineBDBM50379813AKOS000209030

Show more names

Albb-0057574-(Fluoro-phenyl)-piperidine hydrochloride

AB14868SB18378CS-0132044CHEMBL2011558A6425AM20040320FT-0630287SCHEMBL240518

Database identifiers

CAS: 37656-48-7
PubChem CID: 2759136
DTXSID: DTXSID80374655
ChEMBL: CHEMBL2011558、CHEMBL2021622
EC Number: 672-385-9
Nikkaji: J3.363.239H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 146

Physicochemical properties

Boiling point: 258.6 · 258.6±40.0 °C(Predicted)
Density: 1.048 · 1.048±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.18 · 10.18±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChIKey: AFYALJSDFPSAAZ-UHFFFAOYSA-N
SMILES: N1CCC(C2=CC=C(F)C=C2)CC1
CAS DataBase Reference: 37656 · 37656-48-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 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 CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2933599590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313