1-(2,2-Difluoroethyl)piperidin-4-ol
Basic information
- CAS
1248029-58-4- Standard SMILES
OC1CCN(CC(F)F)CC1- InChIKey
ZLNOIWDWSGHFJK-UHFFFAOYSA-N- Molecular formula
- C7H13F2NO
- Average molar mass
- 165.18 g/mol
- Monoisotopic mass
- 165.09652036
Names & identifiers
- Preferred name
- 1-(2,2-Difluoroethyl)piperidin-4-ol
- IUPAC
- 1-(2,2-difluoroethyl)piperidin-4-ol
- English name
- 1-(2,2-DIFLUOROETHYL)PIPERIDIN-4-OL(WXFC0429)
- Molecular formula
- C7H13F2NO
- Molecular weight
- 165.18
Names & synonyms
1-(2,2-difluoroethyl)piperidin-4-ol1248029-58-4RefChem:420250958-157-4MFCD16162550SCHEMBL1570116SCHEMBL1570119YQF1503ZLNOIWDWSGHFJK-UHFFFAOYSA-OYZB02958AKOS0112979724-Piperidinol, 1-(2,2-difluoroethyl)-
Show more names
1-(2,2-DIFLUOROETHYL)PIPERIDIN-4-OL(WXFC0429)
AS-62395SY150641DS-019658CS-0308729EN300-129329W18506F718622A1-02780
Database identifiers
- CAS
1248029-58-4- PubChem CID
- 62022101
- EC Number
- 958-157-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 228.5 · 228.5±40.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 14.8 · 14.80±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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