1-N-Boc-4-(4-bromophenyl)piperidine
Basic information
- CAS
769944-78-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)CC1- InChIKey
UEOHLUHRQWYQRT-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO2
- Average molar mass
- 340.25 g/mol
- Monoisotopic mass
- 339.08339104
Names & identifiers
- Preferred name
- 1-N-Boc-4-(4-bromophenyl)piperidine
- IUPAC
- tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate
- English name
- 1-N-Boc-4-(4-bromophenyl)piperidine
- Molecular formula
- C16H22BrNO2
- Molecular weight
- 340.26
Names & synonyms
1-N-Boc-4-(4-Bromophenyl)piperidineRefChem:434710873-007-7769944-78-7tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylateN-BOC-4-(4-BROMOPHENYL)PIPERIDINEMFCD098787744-(4-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl esterAKOS0158370164-(4-bromophenyl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL180505orb3176075
Show more names
1-Boc-4-(4-Bromo-phenyl)-piperidine1-N-Boc-4-(5-Bromophenyl)piperidine4-(N-Boc-piperidin-4-yl)bromobenzene4-(4-bromophenyl)piperidine-1-carboxylatetert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate 98%min1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-, 1,1-dimethylethyl ester
Boc 4 (4-bromophenyl)piperidineDTXSID20650662UEOHLUHRQWYQRT-UHFFFAOYSA-N1-boc-4-(4-bromophenyl)piperidine4-(4-bromophenyl)-1-piperidinecarboxylic acid tert-butyl esterAB53989CS-W003678DS-11165
Database identifiers
- CAS
769944-78-7- PubChem CID
- 27281782
- DTXSID
DTXSID20650662- EC Number
- 873-007-7
- Nikkaji
- J3.303.656F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 398.5 · 398.5±42.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.75 · -1.75±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
20 records
Compound notes
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