tert-Butyl 4,4-difluoropiperidine-1-carboxylate
Basic information
- CAS
281652-10-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(F)(F)CC1- InChIKey
HHBBBPZPEBZLII-UHFFFAOYSA-N- Molecular formula
- C10H17F2NO2
- Average molar mass
- 221.24 g/mol
- Monoisotopic mass
- 221.12273511
Names & identifiers
- Preferred name
- tert-Butyl 4,4-difluoropiperidine-1-carboxylate
- IUPAC
- tert-butyl 4,4-difluoropiperidine-1-carboxylate
- English name
- tert-butyl 4,4-difluoropiperidine-1-carboxylate
- Molecular formula
- C10H17F2NO2
- Molecular weight
- 221.24
Names & synonyms
281652-10-6tert-butyl 4,4-difluoropiperidine-1-carboxylateRefChem:893489822-079-81-Boc-4,4-difluoropiperidine1-N-BOC-4,4-DIFLUOROPIPERIDINEtert-Butyl 4,4-difluoro-1-piperidinecarboxylateMFCD11054110N-Boc-4,4-DifluoropiperidineSCHEMBL62284104,4-Difluoro-piperidine-1-carboxylic acid tert-butyl esterGLA65210
Show more names
tert-Butyl 4,4-difluoropiperidin-1-carboxylate4,4-difluoropiperidine-1-formic acid tert-butyl ester1,1-Dimethylethyl 4,4-difluoro-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4,4-difluoro-, 1,1-dimethylethyl ester
BBL103271STL557081AKOS015841218CS-W001523SB40820AS-50767SY098607Butyl 4,4-difluoro-1-piperidinecarboxylate
Database identifiers
- CAS
281652-10-6- PubChem CID
- 21192511
- EC Number
- 822-079-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 247.7 · 247.7±40.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -4.7 · -4.70±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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