5-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
Basic information
- CAS
2064225-89-2- Standard SMILES
CC1(C)OB(c2cc(C(F)(F)F)ncc2Br)OC1(C)C- InChIKey
AQNWWTZOKSUNHK-UHFFFAOYSA-N- Molecular formula
- C12H14BBrF3NO2
- Average molar mass
- 351.96 g/mol
- Monoisotopic mass
- 351.02531
Names & identifiers
- Preferred name
- 5-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
- IUPAC
- 5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
- English name
- 5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
- Molecular formula
- C12H14BBrF3NO2
- Molecular weight
- 351.96
Names & synonyms
2064225-89-25-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine5-bromo-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridineMFCD21365103Pyridine, 5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-5-Bromo-2-(trifluoromethyl)pyridine-4-boronic acid pinacol esterDTXSID001126851CS-33069SY516781CS-0177332G713375-Bromo-2-trifluoromethylpyridine-4-boronic acid pinacol ester
Database identifiers
- CAS
2064225-89-2- PubChem CID
- 74789445
- DTXSID
DTXSID001126851
Properties
Computed structural properties
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 349.2 · 349.2±42.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -2 · -2+-.0.32(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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