4-(2-Chlorophenoxy)piperidine
Basic information
- CAS
245057-65-2- Standard SMILES
Clc1ccccc1OC1CCNCC1- InChIKey
BSFOBRFGIFRVCP-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Names & identifiers
- Preferred name
- 4-(2-Chlorophenoxy)piperidine
- IUPAC
- 4-(2-chlorophenoxy)piperidine
- English name
- 4-(2-CHLOROPHENOXY)PIPERIDINE
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
4-(2-chlorophenoxy)piperidine245057-65-2Piperidine, 4-(2-chlorophenoxy)-MFCD062464094-(2-chloro-phenoxy)-piperidineSCHEMBL82955SCHEMBL22973864-(2-Chlorophenoxy)-piperidine4-(2-Chlorophenoxy);piperidineSCHEMBL28560634DTXSID30397571BSFOBRFGIFRVCP-UHFFFAOYSA-N
Show more names
PIPERIDINE,4-(2-CHLOROPHENOXY)-4-(2-CHLOROPHENOXY)PIPERIDINE HCL4-(2-chlorophenoxy)piperidine(SALTDATA: HCl)
1-chloro-2-(4-piperidyloxy)benzeneSTL068233AKOS003404692CCG-357559CS-W004526SB44079ST103379ST50407789
Database identifiers
- CAS
245057-65-2- PubChem CID
- 3864656
- DTXSID
DTXSID30397571
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 310.4 · 310.4±32.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.10(Predicted)
- form
- solid
- Sensitive
- Air Sensitive
- InChI
- 1S/C11H14ClNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
- InChIKey
- BSFOBRFGIFRVCP-UHFFFAOYSA-N
- CAS DataBase Reference
- 245057 · 245057-65-2
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H400
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H400
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P273-P280-P337+P313-P391
Related reactions
20 records
Compound notes
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