Tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
Basic information
- CAS
550371-74-9- Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)(C(F)(F)F)CC1- InChIKey
BPCANPVVCVCTOJ-UHFFFAOYSA-N- Molecular formula
- C11H18F3NO3
- Average molar mass
- 269.26 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
- English name
- tert-butyl 4-hydroxy-4-(trifluoroMethyl)piperidine-1-carboxylate
- Molecular formula
- C11H18F3NO3
- Molecular weight
- 269.26
Names & synonyms
tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate550371-74-9RefChem:894069867-500-6MFCD169907681-Boc-4-hydroxy-4-(trifluoromethyl)piperidineSCHEMBL2706445AXA37174AKOS023166182DS-8315SB15692SY102552
Show more names
4-Hydroxy-4-trifluoromethyl-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-hydroxy-4-(trifluoromethyl)-, 1,1-dimethylethyl ester
DB-353049CS-0054437EN300-89620F386345F8889-4474tert-butyl4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylatetert-Butyl 4-hydroxy-4-(trifluoromethyl)-1-piperidinecarboxylate2-Methyl-2-propanyl 4-hydroxy-4-(trifluoromethyl)-1-piperidinecarboxylate
Database identifiers
- CAS
550371-74-9- PubChem CID
- 22061329
- EC Number
- 867-500-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow 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
Related reactions
4 records
Compound notes
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